[(1S,2R)-3-(2-bromoethyl)-2-(phenylcarbonyloxy)cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1S,2R)-3-(2-bromoethyl)-2-(phenylcarbonyloxy)cyclohex-3-en-1-yl] benzoate Openeye Name: [(1S,2R)-2-benzoyloxy-3-(2-bromoethyl)cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1S,2R)-2-benzoyloxy-3-(2-bromoethyl)-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2R)-2-benzoyloxy-3-(2-bromoethyl)cyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,2R)-2-benzoyloxy-3-(2-bromoethyl)cyclohex-3-en-1-yl] ester Formula: C22H21BrO4 MolecularWeight: 429.30374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(=C1)CCBr)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H]([C@@H](C(=C1)CCBr)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21BrO4/c23-15-14-16-12-7-13-19(26-21(24)17-8-3-1-4-9-17)20(16)27-22(25)18-10-5-2-6-11-18/h1-6,8-12,19-20H,7,13-15H2/t19-,20+/m0/s1