[(1R,2R,3S)-3-methyl-2-(phenylcarbonyloxy)cyclohexyl] benzoate

Systemtic Name: [(1R,2R,3S)-3-methyl-2-(phenylcarbonyloxy)cyclohexyl] benzoate Openeye Name: [(1R,2R,3S)-2-benzoyloxy-3-methyl-cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R,3S)-2-benzoyloxy-3-methylcyclohexyl] ester IUPAC Name: [(1R,2R,3S)-2-benzoyloxy-3-methylcyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R,3S)-2-benzoyloxy-3-methyl-cyclohexyl] ester Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22O4/c1-15-9-8-14-18(24-20(22)16-10-4-2-5-11-16)19(15)25-21(23)17-12-6-3-7-13-17/h2-7,10-13,15,18-19H,8-9,14H2,1H3/t15-,18+,19+/m0/s1