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Methyl 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate

Flow Object IDfo-e1f81ae63d18cecf
TypeConsensus
prefLabel
Label Language
Methyl 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate en
Alt Labels
Label Language Provenance
Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester en
CAS Numbers958445-54-0
EC Numbers640-001-9
Changes Applied26

Properties

Predicate Value
InChIKey VOKIUIIBMBYXNU-UHFFFAOYSA-N
InChI InChI=1S/C8H4F12O4/c1-22-3(21)4(10,11)2(9)23-6(14,15)5(12,13)7(16,17)24-8(18,19)20/h2H,1H3
IUPAC name 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid methyl ester, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propionic acid methyl ester, methyl 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate, methyl 2,2,3-tris(fluoranyl)-3-[1,1,2,2,3,3-hexakis(fluoranyl)-3-(trifluoromethyloxy)propoxy]propanoate
Molecular formula C8H4F12O4
SMILES COC(=O)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(F)F

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
d3193514… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
6f06469a… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
debfb2e2… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
bd38c6e2… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
30b45e16… EF 3.1 kg Environmental → Air → Unknown 2 2
9ce0a654… EF 3.1 kg Environmental → Air → Unknown 2 2
e52e8cf3… EF 3.1 kg Environmental → Ground → Agricultural 2 2
1fba1056… EF 3.1 kg Environmental → Ground → Unknown 2 2
961dc1b1… EF 3.1 kg Environmental → Water → Ocean 2 2
49eff60f… EF 3.1 kg Environmental → Water → Surface water 2 2
a7d92f82… EF 3.1 kg Environmental → Water → Unknown 2 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
1fba1056… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
1fba1056… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
30b45e16… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
30b45e16… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
49eff60f… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
49eff60f… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
6f06469a… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
6f06469a… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
961dc1b1… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
961dc1b1… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
9ce0a654… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
9ce0a654… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
a7d92f82… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
a7d92f82… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
ae53c2f8… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
ae53c2f8… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
bd38c6e2… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
bd38c6e2… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
d3193514… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
d3193514… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
dce0d176… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
dce0d176… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
debfb2e2… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
debfb2e2… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}
e52e8cf3… altLabel [{"@value":"Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:958445-54-0","https://commonchemistry.cas.org/detail?cas_rn=958445-54-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; cas=958445-54-0; added Common Chemistry CAS names as altLabel: Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester; object_uuid=fo-e1f81ae63d18cecf
e52e8cf3… cas_match_labels {"958445-54-0":"exactMatch"} group_key=methyl2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'958445-54-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e1f81ae63d18cecf: {'958445-54-0': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-e1f81ae63d18cecf",
  "prefLabel": [
    {
      "@value": "Methyl 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoate",
      "@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": "Propanoic acid, 2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-, methyl ester",
      "@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": [
        "C8H4F12O4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VOKIUIIBMBYXNU-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "COC(=O)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(F)F"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C8H4F12O4/c1-22-3(21)4(10,11)2(9)23-6(14,15)5(12,13)7(16,17)24-8(18,19)20/h2H,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": {
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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": [
        "2,2,3-trifluoro-3-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]propanoic acid methyl ester",
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