methyl (3S)-3-(4-ethylphenyl)-2-oxidanylidene-butanoate

Systemtic Name: methyl (3S)-3-(4-ethylphenyl)-2-oxidanylidene-butanoate Openeye Name: methyl (3S)-3-(4-ethylphenyl)-2-oxo-butanoate CAS Name: (3S)-3-(4-ethylphenyl)-2-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-ethylphenyl)-2-oxobutanoate Traditional Name: (3S)-3-(4-ethylphenyl)-2-keto-butyric acid methyl ester Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)C(=O)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)C(=O)C(=O)OC

InChI

InChI=1S/C13H16O3/c1-4-10-5-7-11(8-6-10)9(2)12(14)13(15)16-3/h5-9H,4H2,1-3H3/t9-/m0/s1