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

Systemtic Name: [(1S,2R,3R,6S)-3-methyl-2-methylsulfonyloxy-6-propan-2-yl-cyclohexyl] benzoate Openeye Name: [(1S,2R,3R,6S)-6-isopropyl-3-methyl-2-methylsulfonyloxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,3R,6S)-3-methyl-2-methylsulfonyloxy-6-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,3R,6S)-3-methyl-2-methylsulfonyloxy-6-propan-2-ylcyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,3R,6S)-6-isopropyl-3-methyl-2-methylsulfonyloxy-cyclohexyl] ester Formula: C18H26O5S MolecularWeight: 354.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1OS(=O)(=O)C)OC(=O)C2=CC=CC=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26O5S/c1-12(2)15-11-10-13(3)16(23-24(4,20)21)17(15)22-18(19)14-8-6-5-7-9-14/h5-9,12-13,15-17H,10-11H2,1-4H3/t13-,15+,16-,17+/m1/s1