← Back to consensus flow objects

1,2-benzenedicarboxylic Acid, Heptyl Nonyl Ester, Branched And Linear

2D structure
Flow Object IDfo-6022d05582887e6e
TypeConsensus
prefLabel
Label Language
1,2-benzenedicarboxylic Acid, Heptyl Nonyl Ester, Branched And Linear en
Alt Labels
Label Language Provenance
1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear en —
CAS Numbers 111381-89-6
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow260881c4-8450-45ab-b1af-4844e1d6ddb9

Properties

Predicate Value
InChIKey SOONNKHXNUDREF-UHFFFAOYSA-N, ZEJZEEQJSOINEV-UHFFFAOYSA-N
InChI InChI=1S/C24H38O4/c1-3-5-7-9-10-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-11-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3, InChI=1S/C24H38O4/c1-5-9-13-20(12-6-2)18-28-24(26)22-15-11-10-14-21(22)23(25)27-17-16-19(7-3)8-4/h10-11,14-15,19-20H,5-9,12-13,16-18H2,1-4H3
IUPAC name 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate, 1-O-heptyl 2-O-nonyl benzene-1,2-dicarboxylate, O1-(3-ethylpentyl) O2-(2-propylhexyl) benzene-1,2-dicarboxylate, O1-heptyl O2-nonyl benzene-1,2-dicarboxylate, benzene-1,2-dicarboxylic acid O1-(3-ethylpentyl) ester O2-(2-propylhexyl) ester, benzene-1,2-dicarboxylic acid O1-heptyl ester O2-nonyl ester
Molecular formula C24H38O4
Molecular mass 390.564
Monoisotopic mass 390.27701
SMILES CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC, CCCCC(CCC)COC(=O)c1ccccc1C(=O)OCCC(CC)CC, CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
7343704d… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
a6b213e0… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
9456c243… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
ac9a9005… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
3ae67542… EF 3.1 kg Environmental → Air → Unknown 2 2
58e0e28b… EF 3.1 kg Environmental → Air → Unknown 2 2
2fd24baa… EF 3.1 kg Environmental → Ground → Agricultural 2 2
468ea96e… EF 3.1 kg Environmental → Ground → Unknown 2 2
260881c4… EF 3.1 kg Environmental → Water → Ocean 2 2
c4decdc1… EF 3.1 kg Environmental → Water → Surface water 2 2
2aa6652b… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
260881c4… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
260881c4… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
2aa6652b… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
2aa6652b… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
2fd24baa… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
2fd24baa… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
3ae67542… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
3ae67542… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
468ea96e… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
468ea96e… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
58e0e28b… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
58e0e28b… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
7343704d… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
7343704d… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
9456c243… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
9456c243… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
a576bc75… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
a576bc75… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
a6b213e0… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
a6b213e0… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
ac9a9005… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
ac9a9005… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
c4decdc1… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
c4decdc1… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}
e5e773b9… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:111381-89-6","https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; cas=111381-89-6; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1-heptyl 2-nonyl ester, branched and linear; object_uuid=fo-6022d05582887e6e
e5e773b9… cas_match_labels — {"111381-89-6":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,heptylnonylester,branchedandlinear||dimension=Environmental > media=Water > water_body=Ocean; group_sources=[]; cas_sources={'111381-89-6': []}; assigned CAS labels from group consensus; object_uuid=fo-6022d05582887e6e: {'111381-89-6': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-6022d05582887e6e",
  "prefLabel": [
    {
      "@value": "1,2-benzenedicarboxylic Acid, Heptyl Nonyl Ester, Branched And Linear",
      "@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, 1-heptyl 2-nonyl ester, branched and linear",
      "@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": [
        "C24H38O4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:86117",
            "CID:3015053"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "SOONNKHXNUDREF-UHFFFAOYSA-N",
        "ZEJZEEQJSOINEV-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:86117",
            "CID:3015053"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC",
        "CCCCC(CCC)COC(=O)c1ccccc1C(=O)OCCC(CC)CC",
        "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:86117",
            "CID:3015053"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C24H38O4/c1-3-5-7-9-10-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-11-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3",
        "InChI=1S/C24H38O4/c1-5-9-13-20(12-6-2)18-28-24(26)22-15-11-10-14-21(22)23(25)27-17-16-19(7-3)8-4/h10-11,14-15,19-20H,5-9,12-13,16-18H2,1-4H3"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:86117",
            "CID:3015053"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate",
        "1-O-heptyl 2-O-nonyl benzene-1,2-dicarboxylate",
        "O1-(3-ethylpentyl) O2-(2-propylhexyl) benzene-1,2-dicarboxylate",
        "O1-heptyl O2-nonyl benzene-1,2-dicarboxylate",
        "benzene-1,2-dicarboxylic acid O1-(3-ethylpentyl) ester O2-(2-propylhexyl) ester",
        "benzene-1,2-dicarboxylic acid O1-heptyl ester O2-nonyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86117",
          "CID:3015053"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "390.564"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        "390.27701"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCCC(CC)CC"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.728.440J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3015053;CAS:111381-89-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[111381-89-6]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=111381-89-6",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "111381-89-6"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID20883150",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3015053;CAS:111381-89-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[111381-89-6]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B8M04R8R32",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3015053;CAS:111381-89-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[111381-89-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/3015053",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3015053;CAS:111381-89-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[111381-89-6]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/86117",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:86117;CAS:111381-89-6"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[111381-89-6]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27274508",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3015053;CAS:111381-89-6"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[111381-89-6]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "260881c4-8450-45ab-b1af-4844e1d6ddb9",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "111381-89-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=111381-89-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}