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2-Propenoic acid, 2-chloro-3-(2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)-, ethyl ester, (2Z)-

Flow Object IDfo-c0c050f0863c58d3
TypeConsensus
prefLabel
Label Language
2-Propenoic acid, 2-chloro-3-(2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)-, ethyl ester, (2Z)- en
Alt Labels
Label Language Provenance
ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate en —
ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate en —
2-Propenoic acid, 2-chloro-3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2<em>H</em>-isoindol-2-yl)phenyl]-, ethyl ester, (2<em>Z</em>)- en —
2-Propenoic acid, 2-chloro-3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2<em>H</em>-isoindol-2-yl)phenyl]-, ethyl ester, (<em>Z</em>)- en —
BAS 615H en —
Bingo en —
Cinidon en —
Lotus en —
Lotus (herbicide) en —
Orbit en —
Orbit (herbicide) en —
Solar (herbicide) en —
Vega en —
Vega (herbicide) en —
Cinidon ethyl en —
Definitions
Language Value Provenance
en A carboxylic ester and organochlorine compound that is the ethyl ester of cinidon.
CAS Numbers142891-20-1
Changes Applied4

Properties

Predicate Value
Formal charge 0
InChIKey NNKKTZOEKDFTBU-YBEGLDIGSA-N
InChI InChI=1S/C19H17Cl2NO4/c1-2-26-19(25)16(21)10-11-9-12(7-8-15(11)20)22-17(23)13-5-3-4-6-14(13)18(22)24/h7-10H,2-6H2,1H3/b16-10-
IUPAC name (Z)-2-chloro-3-[2-chloro-5-(1,3-diketo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]acrylic acid ethyl ester, (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]-2-propenoic acid ethyl ester, ethyl (Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)phenyl]prop-2-enoate, ethyl (Z)-3-[5-[1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]-2-chloranyl-phenyl]-2-chloranyl-prop-2-enoate
Molecular formula C19H17Cl2NO4
Molecular mass 394.254
Monoisotopic mass 393.05346
SMILES CCOC(=O)/C(=C/C1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl)/Cl, CCOC(=O)/C(Cl)=C/c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl, CCOC(=O)C(=CC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl)Cl

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
cacb1354… ecoinvent algorithm addition kg Environmental → Air → High stack, >150 meters 0 0
99330979… EF 3.1 kg Environmental → Ground → Agricultural 0 4
d320c68f… ecoinvent algorithm addition kg Environmental → Water → Surface water 0 0
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
99330979… prefLabel [{"@value":"Cinidon-ethyl","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"legacy name field"}}] [{"@value":"Cinidon ethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1"],"prov:wasDerivedFrom":"Common Chemistry / ChEBI primary name agreement"}}] cas=142891-20-1; cc_chebi_agreed_name='Cinidon ethyl'; object_uuid=fo-c0c050f0863c58d3
99330979… altLabel [{"@value":"ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate","http://purl.obolibrary.org/obo/CHEBI_63927","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate","http://purl.obolibrary.org/obo/CHEBI_63927","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate","http://purl.obolibrary.org/obo/CHEBI_63927","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate","http://purl.obolibrary.org/obo/CHEBI_63927","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Cinidon-ethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original name retained as altLabel"}}] cas=142891-20-1; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-c0c050f0863c58d3
99330979… altLabel [{"@value":"ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate","http://purl.obolibrary.org/obo/CHEBI_63927","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate","http://purl.obolibrary.org/obo/CHEBI_63927","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Cinidon-ethyl","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["EF 3.1"],"prov:wasDerivedFrom":"original name retained as altLabel"}}] [{"@value":"ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate","http://purl.obolibrary.org/obo/CHEBI_63927","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate","http://purl.obolibrary.org/obo/CHEBI_63927","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-Propenoic acid, 2-chloro-3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2<em>H</em>-isoindol-2-yl)phenyl]-, ethyl ester, (2<em>Z</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"2-Propenoic acid, 2-chloro-3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2<em>H</em>-isoindol-2-yl)phenyl]-, ethyl ester, (<em>Z</em>)-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"BAS 615H","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Bingo","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cinidon","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Lotus","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Lotus (herbicide)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Orbit","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Orbit (herbicide)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Solar (herbicide)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vega","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Vega (herbicide)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:142891-20-1","https://commonchemistry.cas.org/detail?cas_rn=142891-20-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=cinidon-ethyl||dimension=Environmental > media=Ground > geography=Agricultural; cas=142891-20-1; added Common Chemistry CAS names as altLabel: 2-Propenoic acid, 2-chloro-3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2<em>H</em>-isoindol-2-yl)phenyl]-, ethyl ester, (2<em>Z</em>)-, 2-Propenoic acid, 2-chloro-3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2<em>H</em>-isoindol-2-yl)phenyl]-, ethyl ester, (<em>Z</em>)-, BAS 615H, Bingo, Cinidon, Lotus, Lotus (herbicide), Orbit, Orbit (herbicide), Solar (herbicide), Vega, Vega (herbicide); object_uuid=fo-c0c050f0863c58d3
99330979… cas_match_labels — {"142891-20-1":"exactMatch"} group_key=cinidon-ethyl||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'142891-20-1': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0c050f0863c58d3: {'142891-20-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-c0c050f0863c58d3",
  "prefLabel": [
    {
      "@value": "2-Propenoic acid, 2-chloro-3-(2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl)-, ethyl ester, (2Z)-",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]prop-2-enoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-chloro-3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2<em>H</em>-isoindol-2-yl)phenyl]-, ethyl ester, (2<em>Z</em>)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-chloro-3-[2-chloro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2<em>H</em>-isoindol-2-yl)phenyl]-, ethyl ester, (<em>Z</em>)-",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "BAS 615H",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "Bingo",
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        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Cinidon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Lotus",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Lotus (herbicide)",
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        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "altLabel"
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    },
    {
      "@value": "Orbit",
      "@language": "en",
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    },
    {
      "@value": "Orbit (herbicide)",
      "@language": "en",
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        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Solar (herbicide)",
      "@language": "en",
      "@lang": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Vega",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Vega (herbicide)",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Cinidon ethyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C19H17Cl2NO4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "http://purl.obolibrary.org/obo/CHEBI_63927"
          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:5851439"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCOC(=O)/C(=C/C1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl)/Cl",
        "CCOC(=O)/C(Cl)=C/c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl",
        "CCOC(=O)C(=CC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)CCCC3)Cl)Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
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