triphenylsulfanium; tris(2-tert-butylphenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: triphenylsulfanium; tris(2-tert-butylphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; triphenylsulfonium; tris(2-tert-butylphenyl)sulfonium CAS Name: trifluoromethanesulfonate; triphenylsulfonium; tris(2-tert-butylphenyl)sulfonium IUPAC Name: trifluoromethanesulfonate; triphenylsulfanium; tris(2-tert-butylphenyl)sulfanium Traditional Name: triphenylsulfonium; tris(2-tert-butylphenyl)sulfonium; ditriflate Formula: C50H54F6O6S4 MolecularWeight: 993.210579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1[S+](C2=CC=CC=C2C(C)(C)C)C3=CC=CC=C3C(C)(C)C.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1[S+](C2=CC=CC=C2C(C)(C)C)C3=CC=CC=C3C(C)(C)C.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H39S.C18H15S.2CHF3O3S/c1-28(2,3)22-16-10-13-19-25(22)31(26-20-14-11-17-23(26)29(4,5)6)27-21-15-12-18-24(27)30(7,8)9;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1(3,4)8(5,6)7/h10-21H,1-9H3;1-15H;2*(H,5,6,7)/q2*+1;;/p-2