Consensus flow list

Disodium 6-acetamido-4-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate

fo-9f17406b8d9e799e

Identity

Type
Chemical salt
CAS
20262-58-2
EC
243-653-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Disodium 6-acetamido-4-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate

Alternative labels

31

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DHHGSXPASZBLGC-VPMNAVQSSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C20H19N3O11S3.2Na/c1-12(24)21-15-3-2-13-10-18(36(28,29)30)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name Disodium 6-acetamido-4-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate
Molecular formula chemrof:molecular_formula C20H17N3Na2O11S3, C20H17N3O11S3.2Na
Molecular mass chemrof:molecular_mass 617.547
Monoisotopic mass chemrof:monoisotopic_mass 616.98206
SMILES string chemrof:smiles_string CC(=O)Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(O)c2c1.[Na+].[Na+]

Known URLs

14

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=20262-58-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:53730 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.131.340 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5066586 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/30082 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11696055 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16758470 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19345978 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19647934 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19733965 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22531430 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24360991 enrich_references.chebi_xrefs
reaxys reaxys:8819776 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27124179 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c6590a71-d02f-42a6-9cdd-8273842bf797 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
32bcaa09-c5d9-414b-8ae3-a0462b42d215 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
618c4be5-5a49-4d73-a541-40593a3ab7f6 Environmental → Air → Indoor EF 3.1 kg 4
9c7daa29-77f3-4e7f-be69-6e4e6ddc2d60 Environmental → Air → Long-term EF 3.1 kg 0
193bfa6b-1bb7-4d53-b674-5985ec3ddd88 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b9e5ea4b-f735-4bd4-98c6-f2ef10c12130 Environmental → Air → Unknown EF 3.1 kg 4
b9971224-65c1-4f5a-8567-55531b50ef38 Environmental → Ground → Agricultural EF 3.1 kg 4
b22712a0-bc65-42f4-8673-7d787acc939e Environmental → Ground → Non-agricultural EF 3.1 kg 4
06309686-b38d-470c-94d8-00d9fc09b9df Environmental → Ground → Unknown EF 3.1 kg 4
ea7f802f-9edb-42f5-a956-3dc5e7024f41 Environmental → Water → Long-term EF 3.1 kg 0
5de16115-46f6-42e6-b972-8f67d8869970 Environmental → Water → Ocean EF 3.1 kg 4
31e439b7-c930-4cbf-948c-324532003eb4 Environmental → Water → Surface water EF 3.1 kg 4
0f864b37-d28d-46a8-aa93-271ab89962d1 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:2)",
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      "@value": "2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium salt",
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      "@value": "Sumifix Brilliant Orange 3R Special Liquid",
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  "properties": {
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