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

Systemtic Name: ethyl (2S)-2-(4-methylphenyl)-2-oxidanyl-2-[(1S)-2-oxidanylidenecyclohex-3-en-1-yl]ethanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCC=CC1=O)(C2=CC=C(C=C2)C)O

Isomeric SMILES

CCOC(=O)[C@]([C@@H]1CCC=CC1=O)(C2=CC=C(C=C2)C)O

InChI

InChI=1S/C17H20O4/c1-3-21-16(19)17(20,13-10-8-12(2)9-11-13)14-6-4-5-7-15(14)18/h5,7-11,14,20H,3-4,6H2,1-2H3/t14-,17-/m1/s1