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CHEBI:87217 - azocarmine B free acid

ChEBI IDCHEBI:87217
ChEBI Nameazocarmine B 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 2,4-disulfophenyl group. The disodium salt is the biological stain 'azocarmine B'.
Last Modified14 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC28H19N3O9S3
Net Charge0
Average Mass637.673
Monoisotopic Mass637.02834
SMILESO=S(=O)(O)c1ccc(/N=c2/cc3n(-c4ccccc4)c4ccccc4nc-3c3ccc(S(=O)(=O)O)cc23)c(S(=O)(=O)O)c1
InChIInChI=1S/C28H19N3O9S3/c32-41(33,34)18-10-12-20-21(14-18)24(29-23-13-11-19(42(35,36)37)15-27(23)43(38,39)40)16-26-28(20)30-22-8-4-5-9-25(22)31(26)17-6-2-1-3-7-17/h1-16H,(H,32,33,34)(H,35,36,37)(H,38,39,40)/b29-24-
InChIKeyTUTFTSGRPHVEDD-OLFWJLLRSA-N
ChEBI Ontology
Outgoing Relation(s)
azocarmine B free acid (CHEBI:87217) is a arenesulfonic acid (CHEBI:33555)
azocarmine B free acid (CHEBI:87217) is a imine (CHEBI:24783)
azocarmine B free acid (CHEBI:87217) is a organic heterotetracyclic compound (CHEBI:38163)
azocarmine B free acid (CHEBI:87217) is conjugate acid of azocarmine B(2−) (CHEBI:87216)
Incoming Relation(s)
azocarmine B(2−) (CHEBI:87216) is conjugate base of azocarmine B free acid (CHEBI:87217)
IUPAC Name 
4-[(7-phenyl-3-sulfobenzo[a]phenazin-5-ylidene)amino]benzene-1,3-disulfonic acid