methyl (2S)-2-(4-bromophenyl)-2-oxidanyl-2-[(1R)-2-oxidanylidenecyclohexyl]ethanoate

Systemtic Name: methyl (2S)-2-(4-bromophenyl)-2-oxidanyl-2-[(1R)-2-oxidanylidenecyclohexyl]ethanoate Openeye Name: methyl (2S)-2-(4-bromophenyl)-2-hydroxy-2-[(1R)-2-oxocyclohexyl]acetate CAS Name: (2S)-2-(4-bromophenyl)-2-hydroxy-2-[(1R)-2-oxocyclohexyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(4-bromophenyl)-2-hydroxy-2-[(1R)-2-oxocyclohexyl]acetate Traditional Name: (2S)-2-(4-bromophenyl)-2-hydroxy-2-[(1R)-2-ketocyclohexyl]acetic acid methyl ester Formula: C15H17BrO4 MolecularWeight: 341.19708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCC1=O)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

COC(=O)[C@]([C@H]1CCCCC1=O)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C15H17BrO4/c1-20-14(18)15(19,10-6-8-11(16)9-7-10)12-4-2-3-5-13(12)17/h6-9,12,19H,2-5H2,1H3/t12-,15+/m0/s1