[(1R,2R)-2-(trifluoromethylsulfanyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2R)-2-(trifluoromethylsulfanyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R)-2-(trifluoromethylsulfanyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2R)-2-(trifluoromethylthio)cyclohexyl] ester IUPAC Name: [(1R,2R)-2-(trifluoromethylsulfanyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R)-2-(trifluoromethylthio)cyclohexyl] ester Formula: C14H17F3O3S2 MolecularWeight: 354.40819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2SC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCCC[C@H]2SC(F)(F)F

InChI

InChI=1S/C14H17F3O3S2/c1-10-6-8-11(9-7-10)22(18,19)20-12-4-2-3-5-13(12)21-14(15,16)17/h6-9,12-13H,2-5H2,1H3/t12-,13-/m1/s1