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

Systemtic Name: methyl 4-(2,4-dimethylphenyl)-2-oxidanylidene-butanoate Openeye Name: methyl 4-(2,4-dimethylphenyl)-2-oxo-butanoate CAS Name: 4-(2,4-dimethylphenyl)-2-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(2,4-dimethylphenyl)-2-oxobutanoate Traditional Name: 4-(2,4-dimethylphenyl)-2-keto-butyric acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3/c1-9-4-5-11(10(2)8-9)6-7-12(14)13(15)16-3/h4-5,8H,6-7H2,1-3H3