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

Systemtic Name: propan-2-yl (2S)-2-(4-methylphenyl)-2-oxidanyl-2-[(1S)-2-oxidanylidenecyclohex-3-en-1-yl]ethanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O4/c1-12(2)22-17(20)18(21,14-10-8-13(3)9-11-14)15-6-4-5-7-16(15)19/h5,7-12,15,21H,4,6H2,1-3H3/t15-,18-/m1/s1