[(1R,2R)-4-tert-butyl-2-(phenylsulfonyl)cyclohexyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(1R,2R)-4-tert-butyl-2-(phenylsulfonyl)cyclohexyl] tris(fluoranyl)methanesulfonate Openeye Name: [(1R,2R)-2-(benzenesulfonyl)-4-tert-butyl-cyclohexyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(1R,2R)-2-(benzenesulfonyl)-4-tert-butylcyclohexyl] ester IUPAC Name: [(1R,2R)-2-(benzenesulfonyl)-4-tert-butylcyclohexyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(1R,2R)-2-besyl-4-tert-butyl-cyclohexyl] ester Formula: C17H23F3O5S2 MolecularWeight: 428.48673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(C(C1)S(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CC[C@H]([C@@H](C1)S(=O)(=O)C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H23F3O5S2/c1-16(2,3)12-9-10-14(25-27(23,24)17(18,19)20)15(11-12)26(21,22)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3/t12?,14-,15-/m1/s1