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4,6-dichloropyrimidine

Flow Object IDfo-6a453f5cee661085
TypeConsensus
prefLabel
Label Language
4,6-dichloropyrimidine en
Alt Labels
Label Language Provenance
NSC 37530 en
Pyrimidine, 4,6-dichloro- en
CAS Numbers1193-21-1
EC Numbers214-770-2
Changes Applied26

Properties

Predicate Value
InChIKey FYNNVDQGEDRVRA-UHFFFAOYSA-N, XJPZKYIHCLDXST-UHFFFAOYSA-N, ZMZWEVVWKCLHFX-UHFFFAOYSA-N
InChI InChI=1S/C12H12N2O3/c1-3-10-13-11(14-17-10)8-5-4-6-9(7-8)12(15)16-2/h4-7H,3H2,1-2H3, InChI=1S/C17H16O3/c1-5-9-18-15-11-13-7-8-17(3,4)20-14(13)12-16(15)19-10-6-2/h1-2,7-8,11-12H,9-10H2,3-4H3, InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H
IUPAC name 2,2-dimethyl-6,7-bis(prop-2-ynoxy)-1-benzopyran, 2,2-dimethyl-6,7-bis(prop-2-ynoxy)chromene, 2,2-dimethyl-6,7-dipropargyloxy-chromene, 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid methyl ester, 4,6-bis(chloranyl)pyrimidine, 4,6-dichloropyrimidine, methyl 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoate
Molecular formula C12H12N2O3, C17H16O3, C4H2Cl2N2
SMILES C1=C(N=CN=C1Cl)Cl, CC1(C=CC2=CC(=C(C=C2O1)OCC#C)OCC#C)C, CCC1=NC(=NO1)C2=CC(=CC=C2)C(=O)OC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
216c44cd… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
5b1a278a… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
0f74db62… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
87388685… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
4c084d15… EF 3.1 kg Environmental → Air → Unknown 2 2
91a64b6e… EF 3.1 kg Environmental → Air → Unknown 2 2
0548c99c… EF 3.1 kg Environmental → Ground → Agricultural 2 2
44a1c935… EF 3.1 kg Environmental → Ground → Unknown 2 2
3bbaeef1… EF 3.1 kg Environmental → Water → Ocean 2 2
09417c57… EF 3.1 kg Environmental → Water → Surface water 2 2
90146d1d… EF 3.1 kg Environmental → Water → Unknown 2 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
0548c99c… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
0548c99c… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
09417c57… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
09417c57… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
0f74db62… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
0f74db62… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
216c44cd… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
216c44cd… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
3bbaeef1… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
3bbaeef1… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
44a1c935… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
44a1c935… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
4c084d15… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
4c084d15… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
5b1a278a… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
5b1a278a… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
87388685… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
87388685… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
90146d1d… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
90146d1d… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
91a64b6e… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
91a64b6e… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
bf129f9b… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
bf129f9b… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}
f5025979… altLabel [{"@value":"NSC 37530","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrimidine, 4,6-dichloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1193-21-1","https://commonchemistry.cas.org/detail?cas_rn=1193-21-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; cas=1193-21-1; added Common Chemistry CAS names as altLabel: NSC 37530, Pyrimidine, 4,6-dichloro-; object_uuid=fo-6a453f5cee661085
f5025979… cas_match_labels {"1193-21-1":"exactMatch"} group_key=4,6-dichloropyrimidine||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1193-21-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6a453f5cee661085: {'1193-21-1': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-6a453f5cee661085",
  "prefLabel": [
    {
      "@value": "4,6-dichloropyrimidine",
      "@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": "NSC 37530",
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    },
    {
      "@value": "Pyrimidine, 4,6-dichloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "altLabel"
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H12N2O3",
        "C17H16O3",
        "C4H2Cl2N2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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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": [
        "FYNNVDQGEDRVRA-UHFFFAOYSA-N",
        "XJPZKYIHCLDXST-UHFFFAOYSA-N",
        "ZMZWEVVWKCLHFX-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=C(N=CN=C1Cl)Cl",
        "CC1(C=CC2=CC(=C(C=C2O1)OCC#C)OCC#C)C",
        "CCC1=NC(=NO1)C2=CC(=CC=C2)C(=O)OC"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H12N2O3/c1-3-10-13-11(14-17-10)8-5-4-6-9(7-8)12(15)16-2/h4-7H,3H2,1-2H3",
        "InChI=1S/C17H16O3/c1-5-9-18-15-11-13-7-8-17(3,4)20-14(13)12-16(15)19-10-6-2/h1-2,7-8,11-12H,9-10H2,3-4H3",
        "InChI=1S/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2,2-dimethyl-6,7-bis(prop-2-ynoxy)-1-benzopyran",
        "2,2-dimethyl-6,7-bis(prop-2-ynoxy)chromene",
        "2,2-dimethyl-6,7-dipropargyloxy-chromene",
        "3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid methyl ester",
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