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CHEBI:87396 - aurintricarboxylate

ChEBI IDCHEBI:87396
ChEBI Nameaurintricarboxylate
Stars
DefinitionA tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of aurintricarboxylic acid.
Last Modified7 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC22H11O9
Net Charge-3
Average Mass419.321
Monoisotopic Mass419.04195
SMILESO=C([O-])C1=CC(=C(c2ccc(O)c(C(=O)[O-])c2)c2ccc(O)c(C(=O)[O-])c2)C=CC1=O
InChIInChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)/p-3
InChIKeyGIXWDMTZECRIJT-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
aurintricarboxylate (CHEBI:87396) is a tricarboxylic acid trianion (CHEBI:27092)
aurintricarboxylate (CHEBI:87396) is conjugate base of aurintricarboxylic acid (CHEBI:87397)
Incoming Relation(s)
aluminon (CHEBI:87398) has part aurintricarboxylate (CHEBI:87396)
chrome violet CG (CHEBI:87394) has part aurintricarboxylate (CHEBI:87396)
aurintricarboxylic acid (CHEBI:87397) is conjugate acid of aurintricarboxylate (CHEBI:87396)
IUPAC Name 
3,3'-[(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoate)