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CHEBI:87216 - azocarmine B(2−)

ChEBI IDCHEBI:87216
ChEBI Nameazocarmine B(2−)
Stars
ASCII Nameazocarmine B(2-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 4-[(7-phenyl-3-sulfobenzo[a]phenazin-5-ylidene)amino]benzene-1,3-disulfonic acid.
Last Modified30 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC28H17N3O9S3
Net Charge-2
Average Mass635.657
Monoisotopic Mass635.01379
SMILESO=S(=O)([O-])c1ccc(Nc2cc3c(nc4ccccc4[n+]3-c3ccccc3)c3ccc(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,(H3,32,33,34,35,36,37,38,39,40)/p-2
InChIKeyAWVYDATYHKYCOW-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
azocarmine B(2−) (CHEBI:87216) is a organosulfonate oxoanion (CHEBI:33554)
azocarmine B(2−) (CHEBI:87216) is conjugate base of azocarmine B free acid (CHEBI:87217)
Incoming Relation(s)
azocarmine B (CHEBI:87214) has part azocarmine B(2−) (CHEBI:87216)
azocarmine B free acid (CHEBI:87217) is conjugate acid of azocarmine B(2−) (CHEBI:87216)
IUPAC Name 
4-[(7-phenyl-3-sulfonatobenzo[a]phenazin-7-ium-5-yl)amino]benzene-1,3-disulfonate
Synonym  Source
azocarmine B anionChEBI