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2-propylheptyl Octanoate

Flow Object IDfo-7b4d40f7775f93ce
TypeConsensus
prefLabel
Label Language
2-propylheptyl Octanoate en
Alt Labels
Label Language Provenance
Cetiol SenSoft en —
Octanoic acid, 2-propylheptyl ester en —
CAS Numbers868839-23-0
EC Numbers485-390-4
Changes Applied26

Properties

Predicate Value
InChIKey OQBIVESRYIWBPL-UHFFFAOYSA-N, WHBKVWBGTBULQY-UHFFFAOYSA-N
InChI InChI=1S/C18H36O2/c1-4-7-9-10-12-15-18(19)20-16-17(13-6-3)14-11-8-5-2/h17H,4-16H2,1-3H3, InChI=1S/C18H36O2/c1-4-7-9-11-13-16-18(19)20-17(14-6-3)15-12-10-8-5-2/h17H,4-16H2,1-3H3
IUPAC name 1-propylheptyl octanoate, 2-propylheptyl octanoate, caprylic acid 1-propylheptyl ester, caprylic acid 2-propylheptyl ester, decan-4-yl octanoate, octanoic acid 2-propylheptyl ester, octanoic acid decan-4-yl ester
Molecular formula C18H36O2
SMILES CCCCCCCC(=O)OC(CCC)CCCCCC, CCCCCCCC(=O)OCC(CCC)CCCCC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
6c71cdaa… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
98e42d55… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
e148bfbe… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
611423ef… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
1491899e… EF 3.1 kg Environmental → Air → Unknown 2 2
904df3ef… EF 3.1 kg Environmental → Air → Unknown 2 2
37c9d6e4… EF 3.1 kg Environmental → Ground → Agricultural 2 2
24bba868… EF 3.1 kg Environmental → Ground → Unknown 2 2
46f6f9c1… EF 3.1 kg Environmental → Water → Ocean 2 2
172e0f3c… EF 3.1 kg Environmental → Water → Surface water 2 2
abe0a32c… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
1491899e… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
1491899e… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
172e0f3c… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
172e0f3c… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
24bba868… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
24bba868… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
37c9d6e4… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
37c9d6e4… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
39ef3bd5… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
39ef3bd5… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
46f6f9c1… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
46f6f9c1… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
611423ef… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
611423ef… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
6c71cdaa… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
6c71cdaa… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
904df3ef… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
904df3ef… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
98e42d55… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
98e42d55… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
abe0a32c… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
abe0a32c… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
b698d374… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
b698d374… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}
e148bfbe… altLabel — [{"@value":"Cetiol SenSoft","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Octanoic acid, 2-propylheptyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:868839-23-0","https://commonchemistry.cas.org/detail?cas_rn=868839-23-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; cas=868839-23-0; added Common Chemistry CAS names as altLabel: Cetiol SenSoft, Octanoic acid, 2-propylheptyl ester; object_uuid=fo-7b4d40f7775f93ce
e148bfbe… cas_match_labels — {"868839-23-0":"exactMatch"} group_key=2-propylheptyloctanoate||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['pubchem']; cas_sources={'868839-23-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7b4d40f7775f93ce: {'868839-23-0': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-7b4d40f7775f93ce",
  "prefLabel": [
    {
      "@value": "2-propylheptyl Octanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
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  "altLabel": [
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    },
    {
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H36O2"
      ],
      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "OQBIVESRYIWBPL-UHFFFAOYSA-N",
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCC(=O)OC(CCC)CCCCCC",
        "CCCCCCCC(=O)OCC(CCC)CCCCC"
      ],
      "rdfs:label": "SMILES",
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      "@value": [
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        "InChI=1S/C18H36O2/c1-4-7-9-11-13-16-18(19)20-17(14-6-3)15-12-10-8-5-2/h17H,4-16H2,1-3H3"
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      "rdfs:label": "InChI",
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1-propylheptyl octanoate",
        "2-propylheptyl octanoate",
        "caprylic acid 1-propylheptyl ester",
        "caprylic acid 2-propylheptyl ester",
        "decan-4-yl octanoate",
        "octanoic acid 2-propylheptyl ester",
        "octanoic acid decan-4-yl ester"
      ],
      "rdfs:label": "IUPAC name",
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
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    {
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