[(1S,3S,5R)-3-acetyloxy-5-methoxycarbonyl-cyclohexyl] benzoate

Systemtic Name: [(1S,3S,5R)-3-acetyloxy-5-methoxycarbonyl-cyclohexyl] benzoate Openeye Name: [(1S,3S,5R)-3-acetoxy-5-methoxycarbonyl-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,3S,5R)-3-acetyloxy-5-methoxycarbonylcyclohexyl] ester IUPAC Name: [(1S,3S,5R)-3-acetyloxy-5-methoxycarbonylcyclohexyl] benzoate Traditional Name: benzoic acid [(1S,3S,5R)-3-acetoxy-5-carbomethoxy-cyclohexyl] ester Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC(C1)OC(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)O[C@H]1C[C@H](C[C@@H](C1)OC(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H20O6/c1-11(18)22-14-8-13(16(19)21-2)9-15(10-14)23-17(20)12-6-4-3-5-7-12/h3-7,13-15H,8-10H2,1-2H3/t13-,14+,15+/m1/s1