[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; 2,4,6-tris(trifluoromethyl)benzenesulfonate

Systemtic Name: [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; 2,4,6-tris(trifluoromethyl)benzenesulfonate Openeye Name: (2,4-ditert-butoxyphenyl)-diphenyl-sulfonium; 2,4,6-tris(trifluoromethyl)benzenesulfonate CAS Name: [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfonium; 2,4,6-tris(trifluoromethyl)benzenesulfonate IUPAC Name: [2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium; 2,4,6-tris(trifluoromethyl)benzenesulfonate Traditional Name: (2,4-ditert-butoxyphenyl)-diphenyl-sulfonium; 2,4,6-tris(trifluoromethyl)besylate Formula: C35H33F9O5S2 MolecularWeight: 768.749149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC(=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3)OC(C)(C)C.C1=C(C=C(C(=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC1=CC(=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3)OC(C)(C)C.C1=C(C=C(C(=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H31O2S.C9H3F9O3S/c1-25(2,3)27-20-17-18-24(23(19-20)28-26(4,5)6)29(21-13-9-7-10-14-21)22-15-11-8-12-16-22;10-7(11,12)3-1-4(8(13,14)15)6(22(19,20)21)5(2-3)9(16,17)18/h7-19H,1-6H3;1-2H,(H,19,20,21)/q+1;/p-1