CHEBI:64832 - 2,4,6-trimethylbenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,4,6-trimethylbenzoate
ChEBI ID CHEBI:64832
Definition A trimethylbenzoate in which the three methyl substituents are located at positions 2, 4 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H11O2
Net Charge -1
Average Mass 163.19310
Monoisotopic Mass 163.07645
InChI InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)/p-1
InChIKey FFFIRKXTFQCCKJ-UHFFFAOYSA-M
SMILES Cc1cc(C)c(C([O-])=O)c(C)c1
ChEBI Ontology
Outgoing 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 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 anion ChEBI
Registry Number Type Source
3905883 Reaxys Registry Number Reaxys
Last Modified
23 July 2012