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O,o-diethyl Chlorothiophosphate

UUID b6bf9d93-1505-4017-bfa2-1e67cb7f49a3
Flow Object IDfo-f58d6684c2d77b1a
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 2524-04-1
EC Numbers 219-755-4
prefLabel
Language Value Provenance
en O,o-diethyl Chlorothiophosphate
altLabel ⓘ
Language Value Provenance
en (Chlorodiethoxy)phosphine sulfide
en <em>O</em>,<em>O</em>-Diethyl chloridophosphorothioate
en <em>O</em>,<em>O</em>-Diethyl chloridothionophosphate
en <em>O</em>,<em>O</em>-Diethyl chlorophosphorothioate
en <em>O</em>,<em>O</em>-Diethyl chlorothionophosphate
en <em>O</em>,<em>O</em>-Diethyl chlorothiophosphate
en <em>O</em>,<em>O</em>-Diethyl chlorothiophosphonate
en <em>O</em>,<em>O</em>-Diethyl phosphorochloridothioate
en <em>O</em>,<em>O</em>-Diethyl phosphorochlorothioate
en <em>O</em>,<em>O</em>-Diethyl phosphorothiochloridate
en <em>O</em>,<em>O</em>-Diethyl phosphorothionochloridate
en <em>O</em>,<em>O</em>-Diethyl thionophosphoric chloride
en <em>O</em>,<em>O</em>-Diethyl thionophosphorochloridate
en <em>O</em>,<em>O</em>-Diethyl thionophosphoryl chloride
en <em>O</em>,<em>O</em>-Diethyl thiophosphoric acid chloride
en <em>O</em>,<em>O</em>-Diethyl thiophosphorochloridate
en <em>O</em>,<em>O</em>-Diethyl thiophosphoryl chloride
en Diethoxythiophosphoryl chloride
en Diethyl chlorothiophosphate
en Diethyl phosphorochloridothioate
en Diethyl phosphorochlorothioate
en Diethyl phosphorothiochloridate
en Diethyl phosphorothionochloridate
en Diethyl thiophosphoryl chloride
en Ethyl phosphorochloridothioate ((EtO)<sub>2</sub>ClPS)
en NSC 43776
en Phosphorochloridothioic acid, <em>O</em>,<em>O</em>-diethyl ester
References
Shared Properties
Predicate Value
InChIKey KMJJJTCKNZYTEY-UHFFFAOYSA-N, PVXSUNKGMKLJBG-UHFFFAOYSA-N, RMQSINXLELHUAE-UHFFFAOYSA-N
InChI InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3, InChI=1S/C4H10ClO2PS/c1-3-7-8(5,6)9-4-2/h3-4H2,1-2H3, InChI=1S/C4H10ClO4PS/c1-3-6-8-10(5,11)9-7-4-2/h3-4H2,1-2H3
IUPAC name 1-[chloranyl(ethylsulfanyl)phosphoryl]oxyethane, 1-[chloro(ethylsulfanyl)phosphoryl]oxyethane, 1-[chloro-(ethylthio)phosphoryl]oxyethane, chloranyl-bis(ethylperoxy)-sulfanylidene-lambda5-phosphane, chloranyl-diethoxy-sulfanylidene-lambda5-phosphane, chloro-bis(ethyldioxy)-sulfanylidenephosphorane, chloro-bis(ethylperoxy)-sulfanylidene-lambda5-phosphane, chloro-bis(ethylperoxy)-thioxo-lambda5-phosphane, chloro-bis(ethylperoxy)-thioxo-phosphorane, chloro-diethoxy-sulfanylidene-lambda5-phosphane, chloro-diethoxy-sulfanylidenephosphorane, chloro-diethoxy-thioxo-lambda5-phosphane, chloro-diethoxy-thioxo-phosphorane
Molecular formula C4H10ClO2PS, C4H10ClO4PS
SMILES CCOOP(=S)(OOCC)Cl, CCOP(=O)(SCC)Cl, CCOP(=S)(OCC)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 b6bf9d93-1505-4017-bfa2-1e67cb7f49a3 o,o-diethyl chlorothiophosphate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 o,o-diethyl chlorothiophosphate Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere 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=o,o-diethylchlorothiophosphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2524-04-1; added Common Chemistry CAS names as altLabel: (Chlorodiethoxy)phosphine sulfide, <em>O</em>,<em>O</em>-Diethyl chloridophosphorothioate, <em>O</em>,<em>O</em>-Diethyl chloridothionophosphate, <em>O</em>,<em>O</em>-Diethyl chlorophosphorothioate, <em>O</em>,<em>O</em>-Diethyl chlorothionophosphate, <em>O</em>,<em>O</em>-Diethyl chlorothiophosphate, <em>O</em>,<em>O</em>-Diethyl chlorothiophosphonate, <em>O</em>,<em>O</em>-Diethyl phosphorochloridothioate, <em>O</em>,<em>O</em>-Diethyl phosphorochlorothioate, <em>O</em>,<em>O</em>-Diethyl phosphorothiochloridate, <em>O</em>,<em>O</em>-Diethyl phosphorothionochloridate, <em>O</em>,<em>O</em>-Diethyl thionophosphoric chloride, <em>O</em>,<em>O</em>-Diethyl thionophosphorochloridate, <em>O</em>,<em>O</em>-Diethyl thionophosphoryl chloride, <em>O</em>,<em>O</em>-Diethyl thiophosphoric acid chloride, <em>O</em>,<em>O</em>-Diethyl thiophosphorochloridate, <em>O</em>,<em>O</em>-Diethyl thiophosphoryl chloride, Diethoxythiophosphoryl chloride, Diethyl chlorothiophosphate, Diethyl phosphorochloridothioate, Diethyl phosphorochlorothioate, Diethyl phosphorothiochloridate, Diethyl phosphorothionochloridate, Diethyl thiophosphoryl chloride, Ethyl phosphorochloridothioate ((EtO)<sub>2</sub>ClPS), NSC 43776, Phosphorochloridothioic acid, <em>O</em>,<em>O</em>-diethyl ester; object_uuid=fo-f58d6684c2d77b1a
cas_match_labels 1 — consensus_match group_key=o,o-diethylchlorothiophosphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2524-04-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f58d6684c2d77b1a: {'2524-04-1': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(Chlorodiethoxy)phosphine sulfide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl chloridophosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl chloridothionophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl chlorophosphorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl chlorothionophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl chlorothiophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl chlorothiophosphonate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl phosphorochloridothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl phosphorochlorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl phosphorothiochloridate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl phosphorothionochloridate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl thionophosphoric chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl thionophosphorochloridate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl thionophosphoryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl thiophosphoric acid chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl thiophosphorochloridate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>O</em>,<em>O</em>-Diethyl thiophosphoryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethoxythiophosphoryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl chlorothiophosphate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl phosphorochloridothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl phosphorochlorothioate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl phosphorothiochloridate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl phosphorothionochloridate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diethyl thiophosphoryl chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl phosphorochloridothioate ((EtO)<sub>2</sub>ClPS)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 43776', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phosphorochloridothioic acid, <em>O</em>,<em>O</em>-diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2524-04-1', 'https://commonchemistry.cas.org/detail?cas_rn=2524-04-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=o,o-diethylchlorothiophosphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2524-04-1; added Common Chemistry CAS names as altLabel: (Chlorodiethoxy)phosphine sulfide, <em>O</em>,<em>O</em>-Diethyl chloridophosphorothioate, <em>O</em>,<em>O</em>-Diethyl chloridothionophosphate, <em>O</em>,<em>O</em>-Diethyl chlorophosphorothioate, <em>O</em>,<em>O</em>-Diethyl chlorothionophosphate, <em>O</em>,<em>O</em>-Diethyl chlorothiophosphate, <em>O</em>,<em>O</em>-Diethyl chlorothiophosphonate, <em>O</em>,<em>O</em>-Diethyl phosphorochloridothioate, <em>O</em>,<em>O</em>-Diethyl phosphorochlorothioate, <em>O</em>,<em>O</em>-Diethyl phosphorothiochloridate, <em>O</em>,<em>O</em>-Diethyl phosphorothionochloridate, <em>O</em>,<em>O</em>-Diethyl thionophosphoric chloride, <em>O</em>,<em>O</em>-Diethyl thionophosphorochloridate, <em>O</em>,<em>O</em>-Diethyl thionophosphoryl chloride, <em>O</em>,<em>O</em>-Diethyl thiophosphoric acid chloride, <em>O</em>,<em>O</em>-Diethyl thiophosphorochloridate, <em>O</em>,<em>O</em>-Diethyl thiophosphoryl chloride, Diethoxythiophosphoryl chloride, Diethyl chlorothiophosphate, Diethyl phosphorochloridothioate, Diethyl phosphorochlorothioate, Diethyl phosphorothiochloridate, Diethyl phosphorothionochloridate, Diethyl thiophosphoryl chloride, Ethyl phosphorochloridothioate ((EtO)<sub>2</sub>ClPS), NSC 43776, Phosphorochloridothioic acid, <em>O</em>,<em>O</em>-diethyl ester; object_uuid=fo-f58d6684c2d77b1a
cas_match_labels None {'2524-04-1': 'exactMatch'} group_key=o,o-diethylchlorothiophosphate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2524-04-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f58d6684c2d77b1a: {'2524-04-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "b6bf9d93-1505-4017-bfa2-1e67cb7f49a3",
  "name": null,
  "cas_numbers": [
    "2524-04-1"
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  "ec_numbers": [
    "219-755-4"
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  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "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": 7.8172
    },
    {
      "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": 7.8172
    }
  ],
  "source": "EF 3.1",
  "identifier": "b6bf9d93-1505-4017-bfa2-1e67cb7f49a3",
  "input_datasets": [
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  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "b6bf9d93-1505-4017-bfa2-1e67cb7f49a3",
      "source_flow_name": "o,o-diethyl chlorothiophosphate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air",
          "Emissions to lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "O,o-diethyl Chlorothiophosphate",
      "@language": "en",
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  "_sources": {
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    "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-air-aicrhe",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@value": [
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        "C4H10ClO4PS"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCOOP(=S)(OOCC)Cl",
        "CCOP(=O)(SCC)Cl",
        "CCOP(=S)(OCC)Cl"
      ],
      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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        "InChI=1S/C4H10ClO4PS/c1-3-6-8-10(5,11)9-7-4-2/h3-4H2,1-2H3"
      ],
      "rdfs:label": "InChI",
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