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CHEBI:64832 - 2,4,6-trimethylbenzoate

ChEBI IDCHEBI:64832
ChEBI Name2,4,6-trimethylbenzoate
Stars
DefinitionA trimethylbenzoate in which the three methyl substituents are located at positions 2, 4 and 6.
Last Modified23 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC10H11O2
Net Charge-1
Average Mass163.196
Monoisotopic Mass163.07645
SMILESCc1cc(C)c(C(=O)[O-])c(C)c1
InChIInChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)/p-1
InChIKeyFFFIRKXTFQCCKJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,4,6-trimethylbenzoate (CHEBI:64832) has functional parent benzoate (CHEBI:16150)
2,4,6-trimethylbenzoate (CHEBI:64832) is a trimethylbenzoate (CHEBI:64831)
2,4,6-trimethylbenzoate (CHEBI:64832) is conjugate base of 2,4,6-trimethylbenzoic acid (CHEBI:64830)
Incoming Relation(s)
2,4,6-trimethylbenzoic acid (CHEBI:64830) is conjugate acid of 2,4,6-trimethylbenzoate (CHEBI:64832)
IUPAC Name 
2,4,6-trimethylbenzoate
Synonym  Source
2,4,6-trimethylbenzoate anionChEBI
Registry NumbersSources
Reaxys:3905883Reaxys