Consensus flow list

Identity

Type
Molecular complex
CAS
144550-36-7
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Iodosulfuron-methyl-sodium

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BEPNBXQVLQBNNS-UHFFFAOYSA-N, JUJFQMPKBJPSFZ-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C14H14IN5O6S.Na/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 chemrof:IUPAC_name Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt
Molecular formula chemrof:molecular_formula C14H13IN5NaO6S, C14H13IN5O6S.Na, C14H14IN5NaO6S
SMILES string chemrof:smiles_string COC(=O)c1ccc(I)cc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1.[Na]

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=144550-36-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81741 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18431 enrich_references.chebi_xrefs
ppdb ppdb:401 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24847864 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155588 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
7ee6df54-af55-4a78-ad85-922f386470ad Environmental → Air → Aircraft cruise height EF 3.1 kg 4
45241464-12e4-41f4-b6cd-ebf9b0f8fd7f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f579c894-d9d6-45b1-ac87-1a22bc967d09 Environmental → Air → Indoor EF 3.1 kg 4
d01ea594-a481-4afc-a033-411330f40110 Environmental → Air → Long-term EF 3.1 kg 0
80715ee1-3503-4cab-860a-21ab1b3a117e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
24807d80-157d-4725-8cc7-30b8fcbc0ff8 Environmental → Air → Unknown EF 3.1 kg 4
bfa27e9c-788d-4a61-9ada-298f6232ea7f Environmental → Ground → Agricultural EF 3.1 kg 4
767e79ff-0b6f-43ae-8407-83ca5315ec18 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2979dd9d3209cfe86c1b4ce3553fe88e41e4dac9 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
f4af4541-c99d-43c8-9aeb-26d288ab6fa7 Environmental → Ground → Unknown EF 3.1 kg 4
c97c594b-4546-442c-80b3-5229f7654df8 Environmental → Water → Long-term EF 3.1 kg 0
ebcad9ce-9e1b-4954-841a-15191411667a Environmental → Water → Ocean EF 3.1 kg 4
64f44e96-0aa2-4f3e-a007-dbf9bff4b22e Environmental → Water → Surface water EF 3.1 kg 4
fdcdf6eb-4558-4313-8039-6ba7181440c8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-738798df4fc32f69",
  "prefLabel": [
    {
      "@value": "Iodosulfuron-methyl-sodium",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "AE-F 115008-00",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:144550-36-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=144550-36-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, monosodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=144550-36-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Destiny",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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      }
    },
    {
      "@value": "Destiny (herbicide)",
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      }
    },
    {
      "@value": "Iodosulfuron methyl ester sodium salt",
      "@language": "en",
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      }
    },
    {
      "@value": "Iodosulfuron-methyl sodium salt",
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      "provenance": {
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        ],
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      }
    }
  ],
  "properties": {
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      "@value": [
        "C14H13IN5NaO6S",
        "C14H13IN5O6S.Na",
        "C14H14IN5NaO6S"
      ],
      "attested_by": {
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        "C14H13IN5NaO6S": [
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        ],
        "C14H14IN5NaO6S": [
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      ],
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        },
        {
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      ],
      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H14IN5O6S.Na/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);"
      ],
      "provenance": [
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          ]
        },
        {
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          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C14H14IN5O6S.Na/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);": [
          "opsin_iupac",
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      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BEPNBXQVLQBNNS-UHFFFAOYSA-N",
        "JUJFQMPKBJPSFZ-UHFFFAOYSA-M"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic"
        ],
        "BEPNBXQVLQBNNS-UHFFFAOYSA-N": [
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        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
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    },
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      "attested_by": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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      },
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  },
  "references": [
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}

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