tris(fluoranyl)methanesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium

Systemtic Name: tris(fluoranyl)methanesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Openeye Name: trifluoromethanesulfonate; tris(4-tert-butoxyphenyl)sulfonium CAS Name: trifluoromethanesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonium IUPAC Name: trifluoromethanesulfonate; tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium Traditional Name: tris(4-tert-butoxyphenyl)sulfonium triflate Formula: C31H39F3O6S2 MolecularWeight: 628.76297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39O3S.CHF3O3S/c1-28(2,3)31-22-10-16-25(17-11-22)34(26-18-12-23(13-19-26)32-29(4,5)6)27-20-14-24(15-21-27)33-30(7,8)9;2-1(3,4)8(5,6)7/h10-21H,1-9H3;(H,5,6,7)/q+1;/p-1