[(1R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-methylbenzenesulfinate

Systemtic Name: [(1R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-methylbenzenesulfinate Openeye Name: [(1R,5S)-2-isopropyl-5-methyl-cyclohexyl] 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid [(1R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16?,17+,20?/m0/s1