diphenylsulfanium; [4-[(2-methylpropan-2-yl)oxy]phenyl] 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: diphenylsulfanium; [4-[(2-methylpropan-2-yl)oxy]phenyl] 4-(trifluoromethyl)benzenesulfonate Openeye Name: (4-tert-butoxyphenyl) 4-(trifluoromethyl)benzenesulfonate; diphenylsulfonium CAS Name: diphenylsulfonium; 4-(trifluoromethyl)benzenesulfonic acid [4-[(2-methylpropan-2-yl)oxy]phenyl] ester IUPAC Name: diphenylsulfanium; [4-[(2-methylpropan-2-yl)oxy]phenyl] 4-(trifluoromethyl)benzenesulfonate Traditional Name: diphenylsulfonium; 4-(trifluoromethyl)benzenesulfonic acid (4-tert-butoxyphenyl) ester Formula: C29H28F3O4S2+ MolecularWeight: 561.65543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F.C1=CC=C(C=C1)[SH+]C2=CC=CC=C2

InChI

InChI=1S/C17H17F3O4S.C12H10S/c1-16(2,3)23-13-6-8-14(9-7-13)24-25(21,22)15-10-4-12(5-11-15)17(18,19)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-11H,1-3H3;1-10H/p+1