[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] benzenesulfonate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] benzenesulfonate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] benzenesulfonate CAS Name: benzenesulfonic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] benzenesulfonate Traditional Name: benzenesulfonic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C16H24O3S MolecularWeight: 296.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OS(=O)(=O)C2=CC=CC=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H24O3S/c1-12(2)15-10-9-13(3)11-16(15)19-20(17,18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t13-,15+,16-/m1/s1