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CHEBI:87213 - azocarmine G free acid

ChEBI IDCHEBI:87213
ChEBI Nameazocarmine G free acid
Stars
DefinitionAn organic heterotetracyclic compound that is 7-phenyl-5-imino-5,7-dihydrobenzo[a]phenazine-3-sulfonic acid in which the imino hydrogen is replaced by a 4-sulfophenyl group. The monosodium salt is the biological stain 'azocarmine G'.
Last Modified14 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC28H19N3O6S2
Net Charge0
Average Mass557.609
Monoisotopic Mass557.07153
SMILESO=S(=O)(O)c1ccc(/N=c2/cc3n(-c4ccccc4)c4ccccc4nc-3c3ccc(S(=O)(=O)O)cc23)cc1
InChIInChI=1S/C28H19N3O6S2/c32-38(33,34)20-12-10-18(11-13-20)29-25-17-27-28(22-15-14-21(16-23(22)25)39(35,36)37)30-24-8-4-5-9-26(24)31(27)19-6-2-1-3-7-19/h1-17H,(H,32,33,34)(H,35,36,37)/b29-25-
InChIKeyNWBXPDOXNZWLJI-GNVQSUKOSA-N
ChEBI Ontology
Outgoing Relation(s)
azocarmine G free acid (CHEBI:87213) is a arenesulfonic acid (CHEBI:33555)
azocarmine G free acid (CHEBI:87213) is a imine (CHEBI:24783)
azocarmine G free acid (CHEBI:87213) is a organic heterotetracyclic compound (CHEBI:38163)
azocarmine G free acid (CHEBI:87213) is conjugate acid of azocarmine G(1−) (CHEBI:87212)
Incoming Relation(s)
azocarmine G(1−) (CHEBI:87212) is conjugate base of azocarmine G free acid (CHEBI:87213)
IUPAC Name 
7-phenyl-5-[(4-sulfophenyl)imino]-5,7-dihydrobenzo[a]phenazine-3-sulfonic acid