phenylsulfanium; tris(4-tert-butylphenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: phenylsulfanium; tris(4-tert-butylphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: phenylsulfonium; trifluoromethanesulfonate; tris(4-tert-butylphenyl)sulfonium CAS Name: phenylsulfonium; trifluoromethanesulfonate; tris(4-tert-butylphenyl)sulfonium IUPAC Name: phenylsulfanium; trifluoromethanesulfonate; tris(4-tert-butylphenyl)sulfanium Traditional Name: phenylsulfonium; tris(4-tert-butylphenyl)sulfonium; ditriflate Formula: C38H46F6O6S4 MolecularWeight: 841.018659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)[SH2+].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)[SH2+].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H39S.C6H6S.2CHF3O3S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;7-6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7/h10-21H,1-9H3;1-5,7H;2*(H,5,6,7)/q+1;;;/p-1