methyl 4-(3-methylphenyl)-2-oxidanylidene-butanoate

Systemtic Name: methyl 4-(3-methylphenyl)-2-oxidanylidene-butanoate Openeye Name: methyl 4-(m-tolyl)-2-oxo-butanoate CAS Name: 4-(3-methylphenyl)-2-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(3-methylphenyl)-2-oxobutanoate Traditional Name: 2-keto-4-(m-tolyl)butyric acid methyl ester Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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