2-[(3-methylphenyl)methyl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[(3-methylphenyl)methyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-(m-tolylmethyl)-3-oxo-butanoic acid CAS Name: 2-[(3-methylphenyl)methyl]-3-oxobutanoic acid IUPAC Name: 2-[(3-methylphenyl)methyl]-3-oxobutanoic acid Traditional Name: 3-keto-2-(3-methylbenzyl)butyric acid Formula: C12H14O3 MolecularWeight: 206.23776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC(C(=O)C)C(=O)O

InChI

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