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1,2-Benzenedicarboxylic Acid, di-C11-14-branched Alkyl Esters, C13-rich

Flow Object IDfo-8274ba0a9755f900
TypeConsensus
prefLabel
Label Language
1,2-Benzenedicarboxylic Acid, di-C11-14-branched Alkyl Esters, C13-rich en
Alt Labels
Label Language Provenance
1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich en —
CAS Numbers68515-47-9
EC Numbers271-089-3
Changes Applied26

Properties

Predicate Value
InChIKey BCSGAWBQJHXXSE-UHFFFAOYSA-N, DGZBXQOWXASMEO-UHFFFAOYSA-L, HTTHIONWWJTHAG-UHFFFAOYSA-N, IFEQFEKBQAAGLQ-UHFFFAOYSA-N
InChI InChI=1S/C31H52O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-26(22-20-18-16-14-12-10-8-6-4-2)24-25-28(30(32)33)29(27)31(34)35/h24-25H,3-23H2,1-2H3,(H,32,33)(H,34,35)/p-2, InChI=1S/C31H52O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-20-24-28(29)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h20-21,24-25H,3-19,22-23,26-27H2,1-2H3, InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3, InChI=1S/C8H8ClNO5S/c1-2-6-7(9)3-5(16(13,14)15)4-8(6)10(11)12/h3-4H,2H2,1H3,(H,13,14,15)
IUPAC name 2-O-dodecyl 1-O-undecyl benzene-1,2-dicarboxylate, 3-chloranyl-4-ethyl-5-nitro-benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-benzenesulfonic acid, 3-chloro-4-ethyl-5-nitro-besylic acid, 3-chloro-4-ethyl-5-nitrobenzenesulfonic acid, 3-dodecyl-4-undecyl-phthalate, 3-dodecyl-4-undecylphthalate, 3-lauryl-4-undecyl-phthalate, O2-dodecyl O1-undecyl benzene-1,2-dicarboxylate, benzene-1,2-dicarboxylic acid O2-dodecyl ester O1-undecyl ester, benzene-1,2-dicarboxylic acid O2-lauryl ester O1-undecyl ester, benzene-1,2-dicarboxylic acid bis(11-methyldodecyl) ester, bis(11-methyldodecyl) benzene-1,2-dicarboxylate
Molecular formula C31H50O4-2, C31H52O4, C34H58O4, C8H8ClNO5S
SMILES CC(C)CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC(C)C, CCC1=C(C=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-], CCCCCCCCCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CCCCCCCCCCC, CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
2bb10b4a… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
d1ae8ae3… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
907b5278… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
4e9df7c6… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
0513f564… EF 3.1 kg Environmental → Air → Unknown 2 2
ba014578… EF 3.1 kg Environmental → Air → Unknown 2 2
bbf79f5a… EF 3.1 kg Environmental → Ground → Agricultural 2 2
04e67f3a… EF 3.1 kg Environmental → Ground → Unknown 2 2
235dd4df… EF 3.1 kg Environmental → Water → Ocean 2 2
e05e9a3a… EF 3.1 kg Environmental → Water → Surface water 2 2
59b68561… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
04e67f3a… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
04e67f3a… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
0513f564… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
0513f564… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
235dd4df… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
235dd4df… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
2bb10b4a… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
2bb10b4a… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
42d05025… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
42d05025… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
4e9df7c6… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
4e9df7c6… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
59b68561… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
59b68561… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
907b5278… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
907b5278… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
9a670657… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
9a670657… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
ba014578… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
ba014578… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
bbf79f5a… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
bbf79f5a… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
d1ae8ae3… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
d1ae8ae3… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}
e05e9a3a… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68515-47-9","https://commonchemistry.cas.org/detail?cas_rn=68515-47-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; cas=68515-47-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich; object_uuid=fo-8274ba0a9755f900
e05e9a3a… cas_match_labels — {"68515-47-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c11-14-branchedalkylesters,c13-rich||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'68515-47-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-8274ba0a9755f900: {'68515-47-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-8274ba0a9755f900",
  "prefLabel": [
    {
      "@value": "1,2-Benzenedicarboxylic Acid, di-C11-14-branched Alkyl Esters, C13-rich",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboxylic acid, di-C<sub>11-14</sub>-branched alkyl esters, C<sub>13</sub>-rich",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C31H50O4-2",
        "C31H52O4",
        "C34H58O4",
        "C8H8ClNO5S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:105972",
          "CID:161559",
          "CID:53896012",
          "CID:149435651"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BCSGAWBQJHXXSE-UHFFFAOYSA-N",
        "DGZBXQOWXASMEO-UHFFFAOYSA-L",
        "HTTHIONWWJTHAG-UHFFFAOYSA-N",
        "IFEQFEKBQAAGLQ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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          "CID:161559",
          "CID:53896012",
          "CID:149435651"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC(C)C",
        "CCC1=C(C=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-]",
        "CCCCCCCCCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CCCCCCCCCCC",
        "CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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        "prov:hadPrimarySource": [
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          "CID:53896012",
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        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
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