EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166055 - trimellitic acid

ChEBI IDCHEBI:166055
ChEBI Nametrimellitic acid
Stars
DefinitionBenzene substituted at the 1,2, and 4 positions by carboxy groups.
Last Modified13 May 2013
DownloadsMolfile

FormulaC9H6O6
Net Charge0
Average Mass210.141
Monoisotopic Mass210.01644
SMILESO=C(O)c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyARCGXLSVLAOJQL-UHFFFAOYSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
benzene-1,2,4-tricarboxylic acid
Synonyms  Source
Benzene-1,2,4-tricarboxylic acidChEMBL
1,2,4-TricarboxybenzeneChemIDplus
1,3,4-Benzenetricarboxylic acidChemIDplus
1,4,5-Benzenetricarboxylic acidChemIDplus
4-Carboxyphthalic acidChemIDplus
1,2,4-Benzenetricarboxylic acidNIST Chemistry WebBook
Registry NumbersSources
Beilstein:2214815Beilstein
CAS:528-44-9ChemIDplus
CAS:528-44-9NIST Chemistry WebBook