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

Systemtic Name: ethyl (2S)-2-(4-bromophenyl)-2-oxidanyl-2-[(1S)-2-oxidanylidenecyclohex-3-en-1-yl]ethanoate Openeye Name: ethyl (2S)-2-(4-bromophenyl)-2-hydroxy-2-[(1S)-2-oxocyclohex-3-en-1-yl]acetate CAS Name: (2S)-2-(4-bromophenyl)-2-hydroxy-2-[(1S)-2-oxo-1-cyclohex-3-enyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-bromophenyl)-2-hydroxy-2-[(1S)-2-oxocyclohex-3-en-1-yl]acetate Traditional Name: (2S)-2-(4-bromophenyl)-2-hydroxy-2-[(1S)-2-ketocyclohex-3-en-1-yl]acetic acid ethyl ester Formula: C16H17BrO4 MolecularWeight: 353.20778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrO4/c1-2-21-15(19)16(20,11-7-9-12(17)10-8-11)13-5-3-4-6-14(13)18/h4,6-10,13,20H,2-3,5H2,1H3/t13-,16-/m1/s1