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CHEBI:68628 - tartrazine(3−)

ChEBI IDCHEBI:68628
ChEBI Nametartrazine(3−)
Stars
ASCII Nametartrazine(3-)
DefinitionAn organosulfonate oxoanion which is also a monocarboxylic acid anion obtained by deprotonation of the sulfo and carboxy groups of tartrazine acid.
Last Modified8 October 2012
Submitternamrata
DownloadsMolfile
FormulaC16H9N4O9S2
Net Charge-3
Average Mass465.401
Monoisotopic Mass464.98274
SMILESO=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)[O-])cc1
InChIInChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)/p-3/b18-17+
InChIKeyRFKITWRHKUYMRJ-ISLYRVAYSA-K
ChEBI Ontology
Outgoing Relation(s)
tartrazine(3−) (CHEBI:68628) is a monocarboxylic acid anion (CHEBI:35757)
tartrazine(3−) (CHEBI:68628) is a organosulfonate oxoanion (CHEBI:33554)
tartrazine(3−) (CHEBI:68628) is conjugate base of tartrazine acid (CHEBI:68629)
Incoming Relation(s)
tartrazine (CHEBI:9405) has part tartrazine(3−) (CHEBI:68628)
tartrazine acid (CHEBI:68629) is conjugate acid of tartrazine(3−) (CHEBI:68628)
IUPAC Name 
5-oxo-1-(4-sulfonatophenyl)-4-[(E)-(4-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate