[(1S,2R,3S,6R)-6-methyl-2-oxidanyl-3-propan-2-yl-cyclohexyl] benzoate

Systemtic Name: [(1S,2R,3S,6R)-6-methyl-2-oxidanyl-3-propan-2-yl-cyclohexyl] benzoate Openeye Name: [(1S,2R,3S,6R)-2-hydroxy-3-isopropyl-6-methyl-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,3S,6R)-2-hydroxy-6-methyl-3-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,3S,6R)-2-hydroxy-6-methyl-3-propan-2-ylcyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,3S,6R)-2-hydroxy-3-isopropyl-6-methyl-cyclohexyl] ester Formula: C17H24O3 MolecularWeight: 276.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1OC(=O)C2=CC=CC=C2)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24O3/c1-11(2)14-10-9-12(3)16(15(14)18)20-17(19)13-7-5-4-6-8-13/h4-8,11-12,14-16,18H,9-10H2,1-3H3/t12-,14+,15-,16+/m1/s1