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CHEBI:28585 - 4-carboxy-4'-sulfoazobenzene

ChEBI IDCHEBI:28585
ChEBI Name4-carboxy-4'-sulfoazobenzene
Stars
DefinitionA member of the class of azobenzenes that is azobenzene in which the para position of one of the phenyl groups is substituted by a carboxy group, whilst that of the other phenyl group is substituted by a sulfo group.
Secondary ChEBI IDsCHEBI:1796, CHEBI:20326
Last Modified3 February 2012
DownloadsMolfile
FormulaC13H10N2O5S
Net Charge0
Average Mass306.299
Monoisotopic Mass306.03104
SMILESO=C(O)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1
InChIInChI=1S/C13H10N2O5S/c16-13(17)9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)21(18,19)20/h1-8H,(H,16,17)(H,18,19,20)/b15-14+
InChIKeyIDPOSZGKQSRDFE-CCEZHUSRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-carboxy-4'-sulfoazobenzene (CHEBI:28585) is a azobenzenes (CHEBI:22682)
4-carboxy-4'-sulfoazobenzene (CHEBI:28585) is a monocarboxylic acid (CHEBI:25384)
4-carboxy-4'-sulfoazobenzene (CHEBI:28585) is a sulfobenzoic acid (CHEBI:26825)
4-carboxy-4'-sulfoazobenzene (CHEBI:28585) is conjugate acid of 4-carboxylato-4'-sulfonatoazobenzene (CHEBI:63476)
Incoming Relation(s)
4-carboxylato-4'-sulfonatoazobenzene (CHEBI:63476) is conjugate base of 4-carboxy-4'-sulfoazobenzene (CHEBI:28585)
IUPAC Name 
4-[(E)-(4-sulfophenyl)diazenyl]benzoic acid
Synonym  Source
4-(4-sulfophenylazo)benzoic acidChEBI
Manual XrefsDatabases
C06673KEGG COMPOUND
Registry NumbersSources
Reaxys:3411412Reaxys