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

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ChEBI Name 4-carboxy-4'-sulfoazobenzene
ChEBI ID CHEBI:28585
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1796, CHEBI:20326
Supplier Information
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Formula C13H10N2O5S
Net Charge 0
Average Mass 306.29400
Monoisotopic Mass 306.03104
InChI InChI=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+
InChIKey IDPOSZGKQSRDFE-CCEZHUSRSA-N
SMILES OC(=O)c1ccc(cc1)\N=N\c1ccc(cc1)S(O)(=O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 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 acid ChEBI
Manual Xref Database
C06673 KEGG COMPOUND
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Registry Number Type Source
3411412 Reaxys Registry Number Reaxys
Last Modified
03 February 2012