methyl (2S)-2-(4-methylphenyl)-2-oxidanyl-2-[(1S)-2-oxidanylidenecyclohex-3-en-1-yl]ethanoate

Systemtic Name: methyl (2S)-2-(4-methylphenyl)-2-oxidanyl-2-[(1S)-2-oxidanylidenecyclohex-3-en-1-yl]ethanoate Openeye Name: methyl (2S)-2-hydroxy-2-[(1S)-2-oxocyclohex-3-en-1-yl]-2-(p-tolyl)acetate CAS Name: (2S)-2-hydroxy-2-(4-methylphenyl)-2-[(1S)-2-oxo-1-cyclohex-3-enyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-hydroxy-2-(4-methylphenyl)-2-[(1S)-2-oxocyclohex-3-en-1-yl]acetate Traditional Name: (2S)-2-hydroxy-2-[(1S)-2-ketocyclohex-3-en-1-yl]-2-(p-tolyl)acetic acid methyl ester Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CCC=CC2=O)(C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@]([C@@H]2CCC=CC2=O)(C(=O)OC)O

InChI

InChI=1S/C16H18O4/c1-11-7-9-12(10-8-11)16(19,15(18)20-2)13-5-3-4-6-14(13)17/h4,6-10,13,19H,3,5H2,1-2H3/t13-,16-/m1/s1