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

Systemtic Name: methyl 2-(4-methylphenyl)carbonyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(4-methylbenzoyl)-3-oxo-butanoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(4-methylbenzoyl)-3-oxobutanoate Traditional Name: 3-keto-2-p-toluoyl-butyric acid methyl ester Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-8-4-6-10(7-5-8)12(15)11(9(2)14)13(16)17-3/h4-7,11H,1-3H3