methyl 2-(3,4-dimethylphenyl)carbonyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(3,4-dimethylphenyl)carbonyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(3,4-dimethylbenzoyl)-3-oxo-butanoate CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(3,4-dimethylbenzoyl)-3-oxobutanoate Traditional Name: 2-(3,4-dimethylbenzoyl)-3-keto-butyric acid methyl ester Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O4/c1-8-5-6-11(7-9(8)2)13(16)12(10(3)15)14(17)18-4/h5-7,12H,1-4H3