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

Systemtic Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Openeye Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-(2,4,6-tritert-butoxyphenyl)sulfonium CAS Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfonium IUPAC Name: 2,4-bis(trifluoromethyl)benzenesulfonate; diphenyl-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Traditional Name: 2,4-bis(trifluoromethyl)besylate; diphenyl-(2,4,6-tritert-butoxyphenyl)sulfonium Formula: C38H42F6O6S2 MolecularWeight: 772.856899

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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=CC(=C(C=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-]

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=CC(=C(C=C1C(F)(F)F)C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H39O3S.C8H4F6O3S/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;9-7(10,11)4-1-2-6(18(15,16)17)5(3-4)8(12,13)14/h10-21H,1-9H3;1-3H,(H,15,16,17)/q+1;/p-1