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

Systemtic Name: [(1S,2R,3R)-3-methyl-2-oxidanyl-cyclohexyl] benzoate Openeye Name: [(1S,2R,3R)-2-hydroxy-3-methyl-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,3R)-2-hydroxy-3-methylcyclohexyl] ester IUPAC Name: [(1S,2R,3R)-2-hydroxy-3-methylcyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,3R)-2-hydroxy-3-methyl-cyclohexyl] ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-10-6-5-9-12(13(10)15)17-14(16)11-7-3-2-4-8-11/h2-4,7-8,10,12-13,15H,5-6,9H2,1H3/t10-,12+,13-/m1/s1