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

Systemtic Name: methyl (2S)-2-(4-ethylphenyl)-2-oxidanyl-2-[(1S)-2-oxidanylidenecyclohex-3-en-1-yl]ethanoate Openeye Name: methyl (2S)-2-(4-ethylphenyl)-2-hydroxy-2-[(1S)-2-oxocyclohex-3-en-1-yl]acetate CAS Name: (2S)-2-(4-ethylphenyl)-2-hydroxy-2-[(1S)-2-oxo-1-cyclohex-3-enyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(4-ethylphenyl)-2-hydroxy-2-[(1S)-2-oxocyclohex-3-en-1-yl]acetate Traditional Name: (2S)-2-(4-ethylphenyl)-2-hydroxy-2-[(1S)-2-ketocyclohex-3-en-1-yl]acetic acid methyl ester Formula: C17H20O4 MolecularWeight: 288.3383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2CCC=CC2=O)(C(=O)OC)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@]([C@@H]2CCC=CC2=O)(C(=O)OC)O

InChI

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