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CHEBI:90534 - 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate

ChEBI IDCHEBI:90534
ChEBI Name2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate
Stars
Last Modified25 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC32H26N3O3S
Net Charge-1
Average Mass532.645
Monoisotopic Mass532.17004
SMILESCc1cc(C(=C2C=CC(=Nc3ccccc3)C=C2)c2ccc(Nc3ccccc3S(=O)(=O)[O-])cc2)ccc1N
InChIInChI=1S/C32H27N3O3S/c1-22-21-25(15-20-29(22)33)32(23-11-16-27(17-12-23)34-26-7-3-2-4-8-26)24-13-18-28(19-14-24)35-30-9-5-6-10-31(30)39(36,37)38/h2-21,35H,33H2,1H3,(H,36,37,38)/p-1/b32-23-,34-27+
InChIKeyVOMZUJSUTZAURW-TXEARYQUSA-M
ChEBI Ontology
Outgoing Relation(s)
2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate (CHEBI:90534) is a organosulfonate oxoanion (CHEBI:33554)
2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate (CHEBI:90534) is conjugate base of alkali Blue G (CHEBI:90532)
Incoming Relation(s)
alkali blue 4B (CHEBI:90522) has part 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate (CHEBI:90534)
alkali Blue G (CHEBI:90532) is conjugate acid of 2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate (CHEBI:90534)
IUPAC Name 
2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonate