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CHEBI:63476 - 4-carboxylato-4'-sulfonatoazobenzene

ChEBI IDCHEBI:63476
ChEBI Name4-carboxylato-4'-sulfonatoazobenzene
Stars
DefinitionA benzenesulfonate resulting from the deprotonation of both the carboxy group and the sulfo group of 4-carboxy-4'-sulfoazobenzene; the major species at pH 7.3.
Last Modified3 February 2012
Submitterhdrabkin
DownloadsMolfile
FormulaC13H8N2O5S
Net Charge-2
Average Mass304.283
Monoisotopic Mass304.01649
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)/p-2/b15-14+
InChIKeyIDPOSZGKQSRDFE-CCEZHUSRSA-L
ChEBI Ontology
Outgoing Relation(s)
4-carboxylato-4'-sulfonatoazobenzene (CHEBI:63476) is a azobenzenes (CHEBI:22682)
4-carboxylato-4'-sulfonatoazobenzene (CHEBI:63476) is a benzenesulfonates (CHEBI:53348)
4-carboxylato-4'-sulfonatoazobenzene (CHEBI:63476) is a monocarboxylic acid anion (CHEBI:35757)
4-carboxylato-4'-sulfonatoazobenzene (CHEBI:63476) is conjugate base of 4-carboxy-4'-sulfoazobenzene (CHEBI:28585)
Incoming Relation(s)
4-carboxy-4'-sulfoazobenzene (CHEBI:28585) is conjugate acid of 4-carboxylato-4'-sulfonatoazobenzene (CHEBI:63476)
IUPAC Name 
4-[(E)-(4-sulfonatophenyl)diazenyl]benzoate
Synonyms  Source
4-[(4-sulfonatophenyl)azo]benzoateChEBI
4-(4-sulfophenylazo)benzoateChEBI