← Back to consensus flows

2-[(4-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate

UUID efb51f04-e30d-457f-8d65-a296b289984f
Flow Object IDfo-99e4b0aee42daa0f
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 2494-89-5
EC Numbers 219-669-7
prefLabel
Language Value Provenance
en 2-[(4-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate
altLabel
Language Value Provenance
en 1-Aminobenzene-4-(2-sulfatoethyl)sulfone
en 1-Aminobenzene-4-β-sulfatoethylsulfone
en 2-(4-Aminobenzenesulfonyl)ethyl sulfate
en 2-(4-Aminophenylsulfonyl)ethyl bisulfate
en 2-[(<em>p</em>-Aminophenyl)sulfonyl]ethyl hydrogen sulfate
en 4-(2-Sulfatoethylsulfonyl)aniline
en 4-(Ethylsulfuratesulfonyl) aniline
en 4-(β-Sulfatoethylsulfonyl)aniline
en 4-Amino-1-β-sulfatoethylsulfonylbenzene
en 4-Aminophenyl 2-sulfatoethyl sulfone
en 4-Aminophenyl β-hydroxyethyl sulfone sulfate ester
en 4-Aminophenyl β-sulfatoethyl sulfone
en 4-[(β-Sulfooxyethyl)sulfonyl]aniline
en <em>p</em>-(2-Sulfatoethylsulfonyl)aniline
en <em>p</em>-(β-Sulfatoethylsulfonyl)aniline
en <em>p</em>-Aminophenyl 2-sulfatoethyl sulfone
en <em>p</em>-Aminophenyl β-sulfatoethyl sulfone
en Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate)
en Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester)
en Ethanol, 2-sulfanilyl-, hydrogen sulfate
en Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester)
en Para Base Sulfate
en [2-[(4-Aminobenzene)sulfonyl]ethoxy]sulfonic acid
References
Shared Properties
Predicate Value
InChIKey BVCXXRGKINNOEO-UHFFFAOYSA-N, IALORYHODRVWKZ-UHFFFAOYSA-N, KRRIAZHWCLPUOO-UHFFFAOYSA-N, PXWNQOBWKLZZGG-UHFFFAOYSA-N
InChI InChI=1S/C14H14N4O4/c15-12-10(13(21)16-7-11(19)20)6-17-14(18-12)22-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,21)(H,19,20)(H2,15,17,18), InChI=1S/C8H11NO3S.H2O4S/c1-6(10)13(11,12)8-5-3-2-4-7(8)9;1-5(2,3)4/h2-6,10H,9H2,1H3;(H2,1,2,3,4), InChI=1S/C8H11NO3S.H2O4S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;1-5(2,3)4/h1-4,10H,5-6,9H2;(H2,1,2,3,4), InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14)
IUPAC name 1-(2-aminophenyl)sulfonylethanol;sulfuric acid, 2-(4-aminophenyl)sulfonylethanol;sulfuric acid, 2-(4-aminophenyl)sulfonylethyl hydrogen sulfate, 2-[(4-amino-2-benzoxy-pyrimidine-5-carbonyl)amino]acetic acid, 2-[(4-amino-2-benzyloxy-pyrimidine-5-carbonyl)amino]acetic acid, 2-[(4-amino-2-phenylmethoxypyrimidine-5-carbonyl)amino]acetic acid, 2-[(4-azanyl-2-phenylmethoxy-pyrimidin-5-yl)carbonylamino]ethanoic acid, 2-[[(4-amino-2-phenylmethoxy-5-pyrimidinyl)-oxomethyl]amino]acetic acid, 2-sulfanilylethanol;sulfuric acid, sulfuric acid 2-(4-aminophenyl)sulfonylethyl ester, sulfuric acid 2-sulfanilylethyl ester
Molecular formula C14H14N4O4, C8H11NO6S2, C8H13NO7S2
SMILES C1=CC(=CC=C1N)S(=O)(=O)CCO.OS(=O)(=O)O, C1=CC(=CC=C1N)S(=O)(=O)CCOS(=O)(=O)O, C1=CC=C(C=C1)COC2=NC=C(C(=N2)N)C(=O)NCC(=O)O, CC(O)S(=O)(=O)C1=CC=CC=C1N.OS(=O)(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 efb51f04-e30d-457f-8d65-a296b289984f 2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate Emissions/Emissions to air/Emissions to non-urban air or from high stacks kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 consensus_match group_key=2-[(4-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2494-89-5; added Common Chemistry CAS names as altLabel: 1-Aminobenzene-4-(2-sulfatoethyl)sulfone, 1-Aminobenzene-4-β-sulfatoethylsulfone, 2-(4-Aminobenzenesulfonyl)ethyl sulfate, 2-(4-Aminophenylsulfonyl)ethyl bisulfate, 2-[(<em>p</em>-Aminophenyl)sulfonyl]ethyl hydrogen sulfate, 4-(2-Sulfatoethylsulfonyl)aniline, 4-(Ethylsulfuratesulfonyl) aniline, 4-(β-Sulfatoethylsulfonyl)aniline, 4-Amino-1-β-sulfatoethylsulfonylbenzene, 4-Aminophenyl 2-sulfatoethyl sulfone, 4-Aminophenyl β-hydroxyethyl sulfone sulfate ester, 4-Aminophenyl β-sulfatoethyl sulfone, 4-[(β-Sulfooxyethyl)sulfonyl]aniline, <em>p</em>-(2-Sulfatoethylsulfonyl)aniline, <em>p</em>-(β-Sulfatoethylsulfonyl)aniline, <em>p</em>-Aminophenyl 2-sulfatoethyl sulfone, <em>p</em>-Aminophenyl β-sulfatoethyl sulfone, Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester), Ethanol, 2-sulfanilyl-, hydrogen sulfate, Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester), Para Base Sulfate, [2-[(4-Aminobenzene)sulfonyl]ethoxy]sulfonic acid; object_uuid=fo-99e4b0aee42daa0f
cas_match_labels 1 consensus_match group_key=2-[(4-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2494-89-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99e4b0aee42daa0f: {'2494-89-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Aminobenzene-4-(2-sulfatoethyl)sulfone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Aminobenzene-4-β-sulfatoethylsulfone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-(4-Aminobenzenesulfonyl)ethyl sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-(4-Aminophenylsulfonyl)ethyl bisulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-[(<em>p</em>-Aminophenyl)sulfonyl]ethyl hydrogen sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(2-Sulfatoethylsulfonyl)aniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(Ethylsulfuratesulfonyl) aniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(β-Sulfatoethylsulfonyl)aniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Amino-1-β-sulfatoethylsulfonylbenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Aminophenyl 2-sulfatoethyl sulfone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Aminophenyl β-hydroxyethyl sulfone sulfate ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Aminophenyl β-sulfatoethyl sulfone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-[(β-Sulfooxyethyl)sulfonyl]aniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-(2-Sulfatoethylsulfonyl)aniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-(β-Sulfatoethylsulfonyl)aniline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Aminophenyl 2-sulfatoethyl sulfone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Aminophenyl β-sulfatoethyl sulfone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanol, 2-sulfanilyl-, hydrogen sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Para Base Sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '[2-[(4-Aminobenzene)sulfonyl]ethoxy]sulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2494-89-5', 'https://commonchemistry.cas.org/detail?cas_rn=2494-89-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-[(4-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=2494-89-5; added Common Chemistry CAS names as altLabel: 1-Aminobenzene-4-(2-sulfatoethyl)sulfone, 1-Aminobenzene-4-β-sulfatoethylsulfone, 2-(4-Aminobenzenesulfonyl)ethyl sulfate, 2-(4-Aminophenylsulfonyl)ethyl bisulfate, 2-[(<em>p</em>-Aminophenyl)sulfonyl]ethyl hydrogen sulfate, 4-(2-Sulfatoethylsulfonyl)aniline, 4-(Ethylsulfuratesulfonyl) aniline, 4-(β-Sulfatoethylsulfonyl)aniline, 4-Amino-1-β-sulfatoethylsulfonylbenzene, 4-Aminophenyl 2-sulfatoethyl sulfone, 4-Aminophenyl β-hydroxyethyl sulfone sulfate ester, 4-Aminophenyl β-sulfatoethyl sulfone, 4-[(β-Sulfooxyethyl)sulfonyl]aniline, <em>p</em>-(2-Sulfatoethylsulfonyl)aniline, <em>p</em>-(β-Sulfatoethylsulfonyl)aniline, <em>p</em>-Aminophenyl 2-sulfatoethyl sulfone, <em>p</em>-Aminophenyl β-sulfatoethyl sulfone, Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate), Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester), Ethanol, 2-sulfanilyl-, hydrogen sulfate, Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester), Para Base Sulfate, [2-[(4-Aminobenzene)sulfonyl]ethoxy]sulfonic acid; object_uuid=fo-99e4b0aee42daa0f
cas_match_labels None {'2494-89-5': 'exactMatch'} group_key=2-[(4-aminophenyl)sulfonyl]ethylhydrogensulfate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'2494-89-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-99e4b0aee42daa0f: {'2494-89-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "efb51f04-e30d-457f-8d65-a296b289984f",
  "name": null,
  "cas_numbers": [
    "2494-89-5"
  ],
  "ec_numbers": [
    "219-669-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "High stack, >150 meters"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 285.96
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 285.96
    }
  ],
  "source": "EF 3.1",
  "identifier": "efb51f04-e30d-457f-8d65-a296b289984f",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "efb51f04-e30d-457f-8d65-a296b289984f",
      "source_flow_name": "2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to non-urban air or from high stacks"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-[(4-aminophenyl)sulfonyl]ethyl Hydrogen Sulfate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-hist15me",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C14H14N4O4",
        "C8H11NO6S2",
        "C8H13NO7S2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615",
          "CID:286018",
          "CID:21424586",
          "CID:91927784"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BVCXXRGKINNOEO-UHFFFAOYSA-N",
        "IALORYHODRVWKZ-UHFFFAOYSA-N",
        "KRRIAZHWCLPUOO-UHFFFAOYSA-N",
        "PXWNQOBWKLZZGG-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615",
          "CID:286018",
          "CID:21424586",
          "CID:91927784"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=CC=C1N)S(=O)(=O)CCO.OS(=O)(=O)O",
        "C1=CC(=CC=C1N)S(=O)(=O)CCOS(=O)(=O)O",
        "C1=CC=C(C=C1)COC2=NC=C(C(=N2)N)C(=O)NCC(=O)O",
        "CC(O)S(=O)(=O)C1=CC=CC=C1N.OS(=O)(=O)O"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615",
          "CID:286018",
          "CID:21424586",
          "CID:91927784"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C14H14N4O4/c15-12-10(13(21)16-7-11(19)20)6-17-14(18-12)22-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,16,21)(H,19,20)(H2,15,17,18)",
        "InChI=1S/C8H11NO3S.H2O4S/c1-6(10)13(11,12)8-5-3-2-4-7(8)9;1-5(2,3)4/h2-6,10H,9H2,1H3;(H2,1,2,3,4)",
        "InChI=1S/C8H11NO3S.H2O4S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10;1-5(2,3)4/h1-4,10H,5-6,9H2;(H2,1,2,3,4)",
        "InChI=1S/C8H11NO6S2/c9-7-1-3-8(4-2-7)16(10,11)6-5-15-17(12,13)14/h1-4H,5-6,9H2,(H,12,13,14)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615",
          "CID:286018",
          "CID:21424586",
          "CID:91927784"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-(2-aminophenyl)sulfonylethanol;sulfuric acid",
        "2-(4-aminophenyl)sulfonylethanol;sulfuric acid",
        "2-(4-aminophenyl)sulfonylethyl hydrogen sulfate",
        "2-[(4-amino-2-benzoxy-pyrimidine-5-carbonyl)amino]acetic acid",
        "2-[(4-amino-2-benzyloxy-pyrimidine-5-carbonyl)amino]acetic acid",
        "2-[(4-amino-2-phenylmethoxypyrimidine-5-carbonyl)amino]acetic acid",
        "2-[(4-azanyl-2-phenylmethoxy-pyrimidin-5-yl)carbonylamino]ethanoic acid",
        "2-[[(4-amino-2-phenylmethoxy-5-pyrimidinyl)-oxomethyl]amino]acetic acid",
        "2-sulfanilylethanol;sulfuric acid",
        "sulfuric acid 2-(4-aminophenyl)sulfonylethyl ester",
        "sulfuric acid 2-sulfanilylethyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615",
          "CID:286018",
          "CID:21424586",
          "CID:91927784"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.676I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2494-89-5]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.017.882",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2494-89-5]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2494-89-5"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID0027484",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2494-89-5]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID00983228",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:286018;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2494-89-5]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=143695",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:286018;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2494-89-5]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5R04R0T8IA",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2494-89-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/21424586",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:21424586;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2494-89-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/286018",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:286018;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2494-89-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/75615",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2494-89-5]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/91927784",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:91927784;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2494-89-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27262761",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75615;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2494-89-5]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82970135",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:286018;CAS:2494-89-5"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2494-89-5]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Aminobenzene-4-(2-sulfatoethyl)sulfone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Aminobenzene-4-β-sulfatoethylsulfone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(4-Aminobenzenesulfonyl)ethyl sulfate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(4-Aminophenylsulfonyl)ethyl bisulfate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[(<em>p</em>-Aminophenyl)sulfonyl]ethyl hydrogen sulfate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(2-Sulfatoethylsulfonyl)aniline",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(Ethylsulfuratesulfonyl) aniline",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(β-Sulfatoethylsulfonyl)aniline",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Amino-1-β-sulfatoethylsulfonylbenzene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Aminophenyl 2-sulfatoethyl sulfone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Aminophenyl β-hydroxyethyl sulfone sulfate ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Aminophenyl β-sulfatoethyl sulfone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-[(β-Sulfooxyethyl)sulfonyl]aniline",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>p</em>-(2-Sulfatoethylsulfonyl)aniline",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>p</em>-(β-Sulfatoethylsulfonyl)aniline",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>p</em>-Aminophenyl 2-sulfatoethyl sulfone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "<em>p</em>-Aminophenyl β-sulfatoethyl sulfone",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-[(4-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-sulfanilyl-, hydrogen sulfate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2-sulfanilyl-, hydrogen sulfate (ester)",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Para Base Sulfate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[2-[(4-Aminobenzene)sulfonyl]ethoxy]sulfonic acid",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2494-89-5",
          "https://commonchemistry.cas.org/detail?cas_rn=2494-89-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "2494-89-5": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/efb51f04-e30d-457f-8d65-a296b289984f",
        "skos:prefLabel": "2-[(4-aminophenyl)sulfonyl]ethyl hydrogen sulfate",
        "context": "Emissions/Emissions to air/Emissions to non-urban air or from high stacks",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/efb51f04-e30d-457f-8d65-a296b289984f"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-99e4b0aee42daa0f"
}