Consensus flow list

Identity

Type
Neutral molecule
CAS
12392-64-2
EC
235-628-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Disodium Hydrogen Bis[(e)-3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]naphthalene-1-sulphonate]chromate(3-)

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

68

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZQWICJYATMSSSD-QUABFQRHSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1/b22-21+;
Isomeric SMILES string chemrof:isomeric_smiles_string O=S(=O)([O][Na])c1cc(O)c(/N=N/c2c(O)ccc3ccccc23)c2ccccc12
Molecular formula chemrof:molecular_formula C20H13N2NaO5S
Molecular mass chemrof:molecular_mass 416.39
Monoisotopic mass chemrof:monoisotopic_mass 416.044287, 416.04429
SMILES string chemrof:smiles_string O=S(=O)([O][Na])c1cc(O)c(N=Nc2c(O)ccc3ccccc23)c2ccccc12

Known URLs

2

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=12392-64-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:747102 enrich_references.chebi_id_link

Elementary flows

13
Flow Context Source Unit CFs
a08d1e9a-55c9-4d9c-a273-e1bf39874df3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4745e376-923c-4ecd-87cd-09fc9491bc2c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
779c28bf-4534-47ab-a3e4-c4c60c8a9965 Environmental → Air → Indoor EF 3.1 kg 4
3df54c89-be5c-40da-8e8c-2fc1c5d62106 Environmental → Air → Long-term EF 3.1 kg 0
c4d86bf6-5086-4d41-8c3b-a10be94a7543 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d07472f5-a3ad-4d03-b097-ee3d388e71c2 Environmental → Air → Unknown EF 3.1 kg 4
0ab28f78-d77f-4e16-be4d-5387f4186caa Environmental → Ground → Agricultural EF 3.1 kg 4
67c43cfc-2694-4bcf-bb1e-1b1ced7bcacb Environmental → Ground → Non-agricultural EF 3.1 kg 4
fa4c39fb-bf5d-4ab2-be25-1105ca8f536b Environmental → Ground → Unknown EF 3.1 kg 4
b233d2be-36da-4859-b2b0-b86d20f8aa08 Environmental → Water → Long-term EF 3.1 kg 0
7e63cfd4-8b50-48d9-8c82-a8e43128bb71 Environmental → Water → Ocean EF 3.1 kg 4
4db6a50d-7612-45a3-a2c1-2f1d2d7420e7 Environmental → Water → Surface water EF 3.1 kg 4
81f8d134-9246-4788-a1a6-a98304d4e986 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
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        "prov:wasDerivedFrom": "legacy name field"
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  ],
  "altLabel": [
    {
      "@value": "1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, chromium complex",
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