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CHEBI:90532 - alkali Blue G

Default Structure
ChEBI IDCHEBI:90532
ChEBI Namealkali Blue G
Stars
DefinitionAn aminobenzenesulfonic acid that is 2-aminobenzenesulfonic acid in which one of the amino hydrogens is replaced by a 4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl} group.
Last Modified25 November 2015
SubmitterSteve
DownloadsMolfile
FormulaC32H27N3O3S
Net Charge0
Average Mass533.653
Monoisotopic Mass533.17731
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)/b32-23-,34-27+
InChIKeyVOMZUJSUTZAURW-TXEARYQUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
ChEBI Ontology
Outgoing Relation(s)
alkali Blue G (CHEBI:90532) has role fluorochrome (CHEBI:51217)
alkali Blue G (CHEBI:90532) has role histological dye (CHEBI:77178)
alkali Blue G (CHEBI:90532) is a aminobenzenesulfonic acid (CHEBI:33557)
alkali Blue G (CHEBI:90532) is a imine (CHEBI:24783)
alkali Blue G (CHEBI:90532) is a olefinic compound (CHEBI:78840)
alkali Blue G (CHEBI:90532) is a substituted aniline (CHEBI:48975)
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)
Incoming Relation(s)
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)
IUPAC Name 
2-(4-{(4-amino-3-methylphenyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}anilino)benzene-1-sulfonic acid
Synonyms  Source
((4-((4-Amino-m-tolyl)(4-(phenylimino)cyclohexa-2,5-dien-1-ylidene)methyl)phenyl)amino)benzenesulphonic acidChemIDplus
alkali blue 4B (acid from)ChEBI
alkali blue 4B free acidChEBI
C.I. Pigment Blue 19ChemIDplus
Registry NumbersSources
CAS:58569-23-6ChemIDplus