methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxo-ethyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[2-(4-bromophenyl)-2-oxoethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-[2-(4-bromophenyl)-2-oxoethyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[2-(4-bromophenyl)-2-keto-ethyl]cyclohexanecarboxylic acid methyl ester Formula: C16H19BrO3 MolecularWeight: 339.22426

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC1CC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrO3/c1-20-16(19)14-5-3-2-4-12(14)10-15(18)11-6-8-13(17)9-7-11/h6-9,12,14H,2-5,10H2,1H3/t12-,14+/m1/s1