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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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