ethyl (3S)-2-methyl-3-(3-methylphenyl)-6-oxidanylidene-hexanoate

Systemtic Name: ethyl (3S)-2-methyl-3-(3-methylphenyl)-6-oxidanylidene-hexanoate Openeye Name: ethyl (3S)-2-methyl-3-(m-tolyl)-6-oxo-hexanoate CAS Name: (3S)-2-methyl-3-(3-methylphenyl)-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl (3S)-2-methyl-3-(3-methylphenyl)-6-oxohexanoate Traditional Name: (3S)-6-keto-2-methyl-3-(m-tolyl)hexanoic acid ethyl ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(CCC=O)C1=CC=CC(=C1)C

Isomeric SMILES

CCOC(=O)C(C)[C@H](CCC=O)C1=CC=CC(=C1)C

InChI

InChI=1S/C16H22O3/c1-4-19-16(18)13(3)15(9-6-10-17)14-8-5-7-12(2)11-14/h5,7-8,10-11,13,15H,4,6,9H2,1-3H3/t13?,15-/m0/s1