Consensus flow list

C.I. Acid Green 3

fo-776cdd736c9fb2dc

Identity

Type
Chemical salt
CAS
4680-78-8
EC
225-132-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
61 across every transformer

Structure

Structure diagram for C.I. Acid Green 3

Alternative labels

48

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0, 1
InChI2D key string chemrof:inchi2d_key_string SYLHZUASBDQZLR-UHFFFAOYSA-M, XKTMIJODWOEBKO-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1
IUPAC name chemrof:IUPAC_name sodium 3-[(ethyl{4-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonate
Molecular formula chemrof:molecular_formula C37H35N2NaO6S2, C37H35N2O6S2.2Na, C37H35N2O6S2.Na
SMILES string chemrof:smiles_string CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2)cc1.[Na+]

Known URLs

13

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=4680-78-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82471 enrich_references.chebi_id_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90112 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.847 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020671 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1333604 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4L2574620F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19428 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20803 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/2673559 enrich_references.chebi_xrefs
reaxys reaxys:18635422 enrich_references.chebi_xrefs
reaxys reaxys:5716108 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27162324 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1f3199a8-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9fec-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f54bf9a5-7df9-41fb-8a64-b6df0c4f5550 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9feb-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9fed-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9fea-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-902d-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9ff6-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-902e-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9ff4-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9ff7-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9fee-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9ff5-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (61 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "4-[4-(N-Ethyl-p-sulfobenzylamino)diphenylmethylene]-[1-(N-ethyl-N-p-sulfoniumbenzyl)-Δ2,5-cyclohexadienimine] monosodium salt",
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      "@value": "Acid Green S",
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      "@value": "Acid Leather Green F",
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      "@value": "Acidal Green G",
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      "@value": "Acilan Green B",
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      "@value": "Amacid Green B",
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    },
    {
      "@value": "Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, sodium salt",
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      "@value": "Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:1)",
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    {
      "@value": "Brilliant Green 3EMBL",
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      }
    },
    {
      "@value": "Bucacid Guinea Green BA",
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      }
    },
    {
      "@value": "C.I. Acid Green 3, monosodium salt",
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    {
      "@value": "C.I. Acid Green 3, sodium salt",
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    },
    {
      "@value": "C.I. Food Green 1",
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    },
    {
      "@value": "Calcocid Green G",
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    },
    {
      "@value": "FD and C green No. 1",
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    {
      "@value": "FD&C Green No. 1",
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    },
    {
      "@value": "Fenazo Green L",
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    },
    {
      "@value": "Guinea green",
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    {
      "@value": "guinea green B",
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      "@value": "Guinea Green BA",
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    },
    {
      "@value": "Guinee green",
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    {
      "@value": "guinia green B",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Hidacid Emerald Green",
      "@language": "en",
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      }
    },
    {
      "@value": "Hispacid Green GB",
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      }
    },
    {
      "@value": "Japan Green 1",
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    },
    {
      "@value": "Japan Green No. 1",
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    },
    {
      "@value": "Japan Green No. 402",
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    },
    {
      "@value": "Kiton Green F",
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    },
    {
      "@value": "Kiton Green FC",
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      }
    },
    {
      "@value": "Leather Green B",
      "@language": "en",
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      "provenance": {
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      "@value": "An organic sodium salt having 3-[(ethyl{4-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene}azaniumyl)methyl]benzene-1-sulfonate. Used as a substitute for Light green SF yellowish in Masson's trichrome, although it is prone to fade. Previously used as a food dye but is now no longer approved.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_90112"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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