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Iodosulfuron

Flow Object IDfo-f2aad546c4251c15
TypeConsensus
prefLabel
Label Language
Iodosulfuron en
CAS Numbers185119-76-0
Changes Applied1

Properties

Predicate Value
InChIKey MBFHUWCOCCICOK-UHFFFAOYSA-N, VWGAYSCWLXQJBQ-UHFFFAOYSA-N
InChI InChI=1S/C13H12IN5O6S/c1-6-15-11(18-13(16-6)25-2)17-12(22)19-26(23,24)9-5-7(14)3-4-8(9)10(20)21/h3-5H,1-2H3,(H,20,21)(H2,15,16,17,18,19,22), InChI=1S/C14H14IN5O6S/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2/h4-6H,1-3H3,(H2,16,17,18,19,20,22)
IUPAC name 4-iodanyl-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid, 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid, 4-iodo-2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid, 4-iodo-2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester, 4-iodo-2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid, 4-iodo-2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester, methyl 4-iodanyl-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate, methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
Molecular formula C13H12IN5O6S, C14H14IN5O6S
SMILES CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)I)C(=O)O, CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)I)C(=O)OC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
03306ed4… ecoinvent algorithm addition kg Environmental → Air → High stack, >150 meters 0 0
a295aaa1… EF 3.1 kg Environmental → Ground → Agricultural 0 1
cc3b8670… ecoinvent algorithm addition kg Environmental → Water 0 0
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
a295aaa1… cas_match_labels — {"185119-76-0":"exactMatch"} group_key=iodosulfuron||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'185119-76-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f2aad546c4251c15: {'185119-76-0': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-f2aad546c4251c15",
  "prefLabel": [
    {
      "@value": "Iodosulfuron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
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        "C13H12IN5O6S",
        "C14H14IN5O6S"
      ],
      "rdfs:label": "Molecular formula",
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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": [
        "MBFHUWCOCCICOK-UHFFFAOYSA-N",
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      ],
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    },
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      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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        "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)I)C(=O)OC"
      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
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        "InChI=1S/C14H14IN5O6S/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2/h4-6H,1-3H3,(H2,16,17,18,19,20,22)"
      ],
      "rdfs:label": "InChI",
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    },
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      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "4-iodanyl-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid",
        "4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid",
        "4-iodo-2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid",
        "4-iodo-2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester",
        "4-iodo-2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid",
        "4-iodo-2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester",
        "methyl 4-iodanyl-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate",
        "methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate"
      ],
      "rdfs:label": "IUPAC name",
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      }
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  },
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    "seed_uuid": "a295aaa1-1909-4394-82ef-7509338f4bbd",
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}