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Fluoroglycofen-ethyl

Flow Object IDfo-3134355f0352781c
TypeConsensus
prefLabel
Label Language
Fluoroglycofen-ethyl en
Alt Labels
Label Language Provenance
2-ethoxy-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate en —
2-ethoxy-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate en —
Compete en —
RH 0265 en —
RH-0265 en —
RH0265 en —
Simtar en —
ethyl O-{5-[(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy]-2-nitrobenzoyl}glycolate en —
fluoroglycofen ethyl en —
fluoroglycofen ethyl ester en —
fluoroglycofene-ethyle en —
Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-2-oxoethyl ester en —
Definitions
Language Value Provenance
en The ethyl ester of fluoroglycofen. It is a herbicide used for the control of broad-leaf weeds and grasses. The herbicide acts by inhibiting the enzyme protoporphyrinogen oxidase, leading to the damage of cell membranes.
CAS Numbers77501-90-7
Changes Applied2

Properties

Predicate Value
Formal charge 0
InChIKey IPPAUTOBDWNELX-UHFFFAOYSA-N
InChI InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3
IUPAC name (2-ethoxy-2-oxidanylidene-ethyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate, (2-ethoxy-2-oxo-ethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate, (2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (2-ethoxy-2-keto-ethyl) ester, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (2-ethoxy-2-oxoethyl) ester
Molecular formula C18H13ClF3NO7
Molecular mass 447.749
Monoisotopic mass 447.03326
SMILES CCOC(=O)COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-], CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
94c1f1ea… EF 3.1 kg Environmental → Ground → Agricultural 0 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
94c1f1ea… altLabel [{"@value":"2-ethoxy-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-ethoxy-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-ethoxy-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-ethoxy-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Compete","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:Compete","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"RH 0265","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:RH 0265","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"RH-0265","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:RH-0265","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"RH0265","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:RH0265","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Simtar","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:Simtar","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"ethyl O-{5-[(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy]-2-nitrobenzoyl}glycolate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl O-{5-[(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy]-2-nitrobenzoyl}glycolate","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"fluoroglycofen ethyl","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:fluoroglycofen ethyl","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"fluoroglycofen ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:fluoroglycofen ethyl ester","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"fluoroglycofene-ethyle","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:fluoroglycofene-ethyle","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}}] [{"@value":"2-ethoxy-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-ethoxy-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"2-ethoxy-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:2-ethoxy-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Compete","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:Compete","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"RH 0265","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:RH 0265","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"RH-0265","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:RH-0265","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"RH0265","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:RH0265","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Simtar","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:Simtar","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"ethyl O-{5-[(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy]-2-nitrobenzoyl}glycolate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:ethyl O-{5-[(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy]-2-nitrobenzoyl}glycolate","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"fluoroglycofen ethyl","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:fluoroglycofen ethyl","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"fluoroglycofen ethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:fluoroglycofen ethyl ester","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"fluoroglycofene-ethyle","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["label:fluoroglycofene-ethyle","http://purl.obolibrary.org/obo/CHEBI_233301","EF 3.1"],"prov:wasDerivedFrom":"chebi synonym match"}},{"@value":"Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-2-oxoethyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77501-90-7","https://commonchemistry.cas.org/detail?cas_rn=77501-90-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=fluoroglycofen-ethyl||dimension=Environmental > media=Ground > geography=Agricultural; cas=77501-90-7; added Common Chemistry CAS names as altLabel: Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-2-oxoethyl ester; object_uuid=fo-3134355f0352781c
94c1f1ea… cas_match_labels — {"77501-90-7":"exactMatch"} group_key=fluoroglycofen-ethyl||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'77501-90-7': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3134355f0352781c: {'77501-90-7': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-3134355f0352781c",
  "prefLabel": [
    {
      "@value": "Fluoroglycofen-ethyl",
      "@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": "2-ethoxy-2-oxoethyl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate",
      "@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": "2-ethoxy-2-oxoethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Compete",
      "@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": "RH 0265",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "RH-0265",
      "@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": "RH0265",
      "@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": "Simtar",
      "@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": "ethyl O-{5-[(2-chloro-alpha,alpha,alpha-trifluoro-p-tolyl)oxy]-2-nitrobenzoyl}glycolate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "fluoroglycofen ethyl",
      "@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": "fluoroglycofen ethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "fluoroglycofene-ethyle",
      "@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": "Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-2-oxoethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H13ClF3NO7"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCOC(=O)COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]",
        "CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3"
      ],
      "rdfs:label": "InChI",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IPPAUTOBDWNELX-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "447.749"
      ],
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "447.03326"
      ],
      "rdfs:label": "Monoisotopic mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
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    },
    "https://w3id.org/chemrof/formal_charge": {
      "@id": "https://w3id.org/chemrof/formal_charge",
      "@value": [
        "0"
      ],
      "rdfs:label": "Formal charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2-ethoxy-2-oxidanylidene-ethyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate",
        "(2-ethoxy-2-oxo-ethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate",
        "(2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate",
        "5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (2-ethoxy-2-keto-ethyl) ester",
        "5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (2-ethoxy-2-oxoethyl) ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
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