Consensus flow list

Identity

Type
ChemicalSalt
CAS
17372-87-1
EC
241-409-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Disodium 2-(2,4,5,7-tetrabromo-6-oxido-3-oxoxanthen-9-yl)benzoate

Alternative labels

126

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SEACYXSIPDVVMV-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C20H8Br4O5.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name disodium;2-(2,4,5,7-tetrabromo-3-keto-6-oxido-xanthen-9-yl)benzoate, disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-9-xanthenyl)benzoate, disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-xanthen-9-yl)benzoate, disodium;2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate, disodium;2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate
Molecular formula chemrof:molecular_formula C20H6Br4Na2O5, C20H6Br4O5.2Na
Molecular mass chemrof:molecular_mass 691.859
Monoisotopic mass chemrof:monoisotopic_mass 687.67441
SMILES string chemrof:smiles_string O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)c(Br)c-2oc2c(Br)c([O-])c(Br)cc12.[Na+].[Na+]

Known URLs

23

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=17372-87-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:52053 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.629 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.121.448 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901015574 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13706 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL411675 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TDQ283MPCW enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.244F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=154491 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C71658 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/9QHRAJ5MYNSU enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11048 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=044164 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24699920 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24991248 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25441927 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25829234 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25977716 enrich_references.chebi_xrefs
reaxys reaxys:3586809 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1310593 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q1089206 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Eosin_Y enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
960dea97-8c4f-42cd-953b-d373725df1be Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e5f032ec-43dd-46b8-a6b5-a37a36639862 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
61f31ffc-dd4e-4727-a3da-9f0cd8c553c0 Environmental → Air → Indoor EF 3.1 kg 2
f230e402-c4cf-4e6e-b4cc-618bf1c97998 Environmental → Air → Long-term EF 3.1 kg 0
86c2e7e8-c287-4d74-b568-86a3eef03785 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
87a26f3d-414a-4ba1-aa61-39ca05823b23 Environmental → Air → Unknown EF 3.1 kg 2
84ba9293-5a7b-41e2-8e51-6f7bc9342123 Environmental → Ground → Agricultural EF 3.1 kg 2
2a2f69dc-0fe2-4ab8-a52b-866b64998263 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9e27d504-afe1-4a86-b076-9f1651e8b05f Environmental → Ground → Unknown EF 3.1 kg 2
a56df10e-f2f8-4788-aacf-7d8d518b52fe Environmental → Water → Long-term EF 3.1 kg 0
36960b5c-cdf4-4412-b525-30c7e82f8448 Environmental → Water → Ocean EF 3.1 kg 2
7adf7beb-510e-47cb-9cd5-d1e7163bb67e Environmental → Water → Surface water EF 3.1 kg 2
36aeba81-887d-4a53-98e9-b191edbf282f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-919a808298c00104",
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  "altLabel": [
    {
      "@value": "11445 Red",
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      }
    },
    {
      "@value": "11731 Red",
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    {
      "@value": "1903 Yellow Pink",
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      }
    },
    {
      "@value": "2',4',5',7'-Tetrabromo-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9-'-(9H)xanthen)-3-one, disodium salt",
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      "@lang": "en",
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    },
    {
      "@value": "2,4,5,7-Tetrabromo-3,6-fluorandiol",
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    },
    {
      "@value": "Abbey Eosin",
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    },
    {
      "@value": "ABCO Eosin",
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    },
    {
      "@value": "Acid red 87",
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    },
    {
      "@value": "Acid Red 87-39014",
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      }
    },
    {
      "@value": "Aizen Eosine",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aizen Eosine GH",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aizen Eosine GH 35%-L",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromo Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromo B",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromo FL",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromo Fluorescein",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromo JPS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromo TS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromo XX",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromoeosine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bromofluoresceic acid",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=17372-87-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bromofluorescein",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bronze Bromo",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Acid Red 87",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Certiqual Eosine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chugai Ink Red AM 5",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cogilor Orange 212.10",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Conacid Red ML",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "D and C Red No. 22",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "D&C Red 22",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "D&C Red No. 22",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "D&C Red No. 22-90133",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Daiwa Red 103WB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Dawn red",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dinacid Eosine Red",
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        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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