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CHEBI:87240 - 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid

ChEBI IDCHEBI:87240
ChEBI Name3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid
Stars
DefinitionA member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at the para position by an anilino group, while the other is substituted at a meta position by a sulfo group. The monosodium salt is the biological stain 'metanil yellow'.
Last Modified31 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H15N3O3S
Net Charge0
Average Mass353.403
Monoisotopic Mass353.08341
SMILESO=S(=O)(O)c1cccc(N=Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C18H15N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23,24)
InChIKeyHLISYGBBLOOIQF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid (CHEBI:87240) is a arenesulfonic acid (CHEBI:33555)
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid (CHEBI:87240) is a aromatic amine (CHEBI:33860)
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid (CHEBI:87240) is a azobenzenes (CHEBI:22682)
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid (CHEBI:87240) is a secondary amino compound (CHEBI:50995)
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid (CHEBI:87240) is conjugate acid of 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate (CHEBI:87238)
Incoming Relation(s)
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonate (CHEBI:87238) is conjugate base of 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid (CHEBI:87240)
IUPAC Name 
3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid
Synonyms  Source
4-(Phenylamino)-3'-sulfoazobenzeneChemIDplus
Metanil yellow free acidChEBI
Metanil yellowChemIDplus
Registry NumbersSources
Reaxys:1844713Reaxys
CAS:4005-68-9ChemIDplus