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sodium

UUID a55bd8e1-725d-4f49-a864-22e95ea316a6
Flow Object IDfo-635f195d076f8a64
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 1120-01-0
EC Numbers 214-292-4
prefLabel ⓘ
Language Value Provenance
en sodium
altLabel ⓘ
Language Value Provenance
en 1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)
en 1-Hexadecanol, hydrogen sulfate, sodium salt
en Avitex C
en Avitex SF
en Cetyl sodium sulfate
en Cetyl sulfate sodium salt
en Conco Sulfate C
en Hexadecyl sodium sulfate
en Hexadecyl sulfate sodium salt
en Lanette E
en Nikkol SCS
en SHS
en Sipex EC 111
en Sodium 1-hexadecanol sulfate
en Sodium <em>n</em>-hexadecyl sulfate
en Sodium cetyl sulfate
en Sodium hexadecyl sulfate
en Sodium monohexadecyl sulfate
en Sodium palmityl sulfate
en Tergitol anionic 7
References
Shared Properties
Predicate Value
InChIKey GGHPAKFFUZUEKL-UHFFFAOYSA-M, GGHPAKFFUZUEKL-UHFFFAOYSA-N, HMWHAHJOIHEFOG-UHFFFAOYSA-N, KEAYESYHFKHZAL-UHFFFAOYSA-N, PNGBYKXZVCIZRN-UHFFFAOYSA-M, ZCIKSVBTGWDVAI-UHFFFAOYSA-L
InChI InChI=1S/C16H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1, InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);, InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1, InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1, InChI=1S/C18H38O4S.C16H34O4S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-18H2,1H3,(H,19,20,21);2-16H2,1H3,(H,17,18,19);;/q;;2*+1/p-2, InChI=1S/Na
IUPAC name disodium;cetyl sulfate;stearyl sulfate, disodium;hexadecyl sulfate;octadecyl sulfate, sodium, sodium 1-hexadecanesulfonate, sodium cetyl sulfate, sodium hexadecane-1-sulfonate, sodium hexadecyl hydrogen sulfate, sodium hexadecyl sulfate, sodium sulfuric acid cetyl ester, sodium sulfuric acid hexadecyl ester
Molecular formula C16H33NaO3S, C16H33NaO4S, C16H34NaO4S, C16H34NaO4S+, C34H70Na2O8S2, Na
SMILES CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].[Na+], CCCCCCCCCCCCCCCCOS(=O)(=O)O.[Na+], CCCCCCCCCCCCCCCCOS(=O)(=O)O.[Na], CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+], CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+], [Na]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a55bd8e1-725d-4f49-a864-22e95ea316a6 sodium hexadecyl sulphate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 sodium hexadecyl sulphate Emissions/Emissions to water/Emissions to water, unspecified kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1120-01-0; added Common Chemistry CAS names as altLabel: 1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1), 1-Hexadecanol, hydrogen sulfate, sodium salt, Avitex C, Avitex SF, Cetyl sodium sulfate, Cetyl sulfate sodium salt, Conco Sulfate C, Hexadecyl sodium sulfate, Hexadecyl sulfate sodium salt, Lanette E, Nikkol SCS, SHS, Sipex EC 111, Sodium 1-hexadecanol sulfate, Sodium <em>n</em>-hexadecyl sulfate, Sodium cetyl sulfate, Sodium hexadecyl sulfate, Sodium monohexadecyl sulfate, Sodium palmityl sulfate, Tergitol anionic 7; object_uuid=fo-635f195d076f8a64
cas_match_labels 1 — consensus_match group_key=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1120-01-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-635f195d076f8a64: {'1120-01-0': 'exactMatch'}
prefLabel 1 — consensus_match group_key=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1120-01-0; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.7951; pubchem_entropy=2.5850; current_score=4.0251; pubchem_score=2.6450; score_improvement=1.3801; threshold=0.400; min_margin=0.400; object_uuid=fo-635f195d076f8a64

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Sodium Hexadecyl Sulphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'sodium', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'name:sodium', 'https://pubchem.ncbi.nlm.nih.gov/compound/5360545'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1120-01-0; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.7951; pubchem_entropy=2.5850; current_score=4.0251; pubchem_score=2.6450; score_improvement=1.3801; threshold=0.400; min_margin=0.400; object_uuid=fo-635f195d076f8a64
altLabel None [{'@value': 'Sodium Hexadecyl Sulphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1120-01-0; added current EF name as altLabel when prefLabel differs; object_uuid=fo-635f195d076f8a64
altLabel [{'@value': 'Sodium Hexadecyl Sulphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] [{'@value': '1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-Hexadecanol, hydrogen sulfate, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Avitex C', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Avitex SF', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cetyl sodium sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cetyl sulfate sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Conco Sulfate C', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexadecyl sodium sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexadecyl sulfate sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lanette E', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nikkol SCS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SHS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sipex EC 111', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium 1-hexadecanol sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium <em>n</em>-hexadecyl sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium cetyl sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium hexadecyl sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium monohexadecyl sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sodium palmityl sulfate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tergitol anionic 7', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1120-01-0', 'https://commonchemistry.cas.org/detail?cas_rn=1120-01-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=1120-01-0; added Common Chemistry CAS names as altLabel: 1-Hexadecanol, 1-(hydrogen sulfate), sodium salt (1:1), 1-Hexadecanol, hydrogen sulfate, sodium salt, Avitex C, Avitex SF, Cetyl sodium sulfate, Cetyl sulfate sodium salt, Conco Sulfate C, Hexadecyl sodium sulfate, Hexadecyl sulfate sodium salt, Lanette E, Nikkol SCS, SHS, Sipex EC 111, Sodium 1-hexadecanol sulfate, Sodium <em>n</em>-hexadecyl sulfate, Sodium cetyl sulfate, Sodium hexadecyl sulfate, Sodium monohexadecyl sulfate, Sodium palmityl sulfate, Tergitol anionic 7; object_uuid=fo-635f195d076f8a64
cas_match_labels None {'1120-01-0': 'exactMatch'} group_key=sodiumhexadecylsulphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'1120-01-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-635f195d076f8a64: {'1120-01-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "a55bd8e1-725d-4f49-a864-22e95ea316a6",
  "name": null,
  "cas_numbers": [
    "1120-01-0"
  ],
  "ec_numbers": [
    "214-292-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "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": 93308.0
    },
    {
      "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": 93308.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "a55bd8e1-725d-4f49-a864-22e95ea316a6",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "a55bd8e1-725d-4f49-a864-22e95ea316a6",
      "source_flow_name": "sodium hexadecyl sulphate",
      "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 water",
          "Emissions to water, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "sodium",
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  "_sources": {
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    "name": "bootstrap_labels",
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    "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"
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C16H33NaO3S",
        "C16H33NaO4S",
        "C16H34NaO4S",
        "C16H34NaO4S+",
        "C34H70Na2O8S2",
        "Na"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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        "HMWHAHJOIHEFOG-UHFFFAOYSA-N",
        "KEAYESYHFKHZAL-UHFFFAOYSA-N",
        "PNGBYKXZVCIZRN-UHFFFAOYSA-M",
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      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+].[Na+]",
        "CCCCCCCCCCCCCCCCOS(=O)(=O)O.[Na+]",
        "CCCCCCCCCCCCCCCCOS(=O)(=O)O.[Na]",
        "CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]",
        "CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]",
        "[Na]"
      ],
      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C16H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1",
        "InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);",
        "InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1",
        "InChI=1S/C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1",
        "InChI=1S/C18H38O4S.C16H34O4S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-18H2,1H3,(H,19,20,21);2-16H2,1H3,(H,17,18,19);;/q;;2*+1/p-2",
        "InChI=1S/Na"
      ],
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      "provenance": {
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
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        "disodium;hexadecyl sulfate;octadecyl sulfate",
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        "sodium hexadecane-1-sulfonate",
        "sodium hexadecyl hydrogen sulfate",
        "sodium hexadecyl sulfate",
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        "sodium sulfuric acid hexadecyl ester"
      ],
      "rdfs:label": "IUPAC name",
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