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CHEBI:31350 - carbazochrome sodium sulfonate

ChEBI IDCHEBI:31350
ChEBI Namecarbazochrome sodium sulfonate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC10H11N4O5S.3H2O.Na
Net Charge0
Average Mass376.323
Monoisotopic Mass376.06648
SMILESCN1C2=CC(=O)/C(=N\NC(N)=O)C=C2CC1S(=O)(=O)[O-].O.O.O.[Na+]
InChIInChI=1S/C10H12N4O5S.Na.3H2O/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;;;;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);;3*1H2/q;+1;;;/p-1/b12-6-;;;;
InChIKeyCQGHBSBJJFZEHQ-LWUOGSMXSA-M
ChEBI Ontology
Outgoing Relation(s)
carbazochrome sodium sulfonate (CHEBI:31350) has functional parent carbazochrome (CHEBI:31349)
carbazochrome sodium sulfonate (CHEBI:31350) is a indoles (CHEBI:24828)
carbazochrome sodium sulfonate (CHEBI:31350) is a organosulfonate oxoanion (CHEBI:33554)
Synonym  Source
Carbazochrome sodium sulfonateKEGG COMPOUND
Manual XrefsDatabases
D01525KEGG DRUG
Registry NumbersSources
CAS:51460-26-5KEGG COMPOUND