2-[(2-methylphenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: 2-[(2-methylphenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: 2-(o-tolylmethyl)-3-oxo-butanoate CAS Name: 2-[(2-methylphenyl)methyl]-3-oxobutanoate IUPAC Name: 2-[(2-methylphenyl)methyl]-3-oxobutanoate Traditional Name: 3-keto-2-(2-methylbenzyl)butyrate Formula: C12H13O3- MolecularWeight: 205.22982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(C(=O)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CC(C(=O)C)C(=O)[O-]

InChI

InChI=1S/C12H14O3/c1-8-5-3-4-6-10(8)7-11(9(2)13)12(14)15/h3-6,11H,7H2,1-2H3,(H,14,15)/p-1