diphenyl-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium; 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate

Systemtic Name: diphenyl-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium; 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate Openeye Name: diphenyl-(2,4,6-tritert-butoxyphenyl)sulfonium; 2,3,4,5,6-pentafluorobenzenesulfonate CAS Name: diphenyl-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfonium; 2,3,4,5,6-pentafluorobenzenesulfonate IUPAC Name: diphenyl-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium; 2,3,4,5,6-pentafluorobenzenesulfonate Traditional Name: diphenyl-(2,4,6-tritert-butoxyphenyl)sulfonium; 2,3,4,5,6-pentafluorobesylate Formula: C36H39F5O6S2 MolecularWeight: 726.813276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC(=C(C(=C1)OC(C)(C)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3)OC(C)(C)C.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F

Isomeric SMILES

CC(C)(C)OC1=CC(=C(C(=C1)OC(C)(C)C)[S+](C2=CC=CC=C2)C3=CC=CC=C3)OC(C)(C)C.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F

InChI

InChI=1S/C30H39O3S.C6HF5O3S/c1-28(2,3)31-22-20-25(32-29(4,5)6)27(26(21-22)33-30(7,8)9)34(23-16-12-10-13-17-23)24-18-14-11-15-19-24;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h10-21H,1-9H3;(H,12,13,14)/q+1;/p-1