[4-(4-methyl-2-phenyl-phenyl)iodoniosulfanylphenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(4-methyl-2-phenyl-phenyl)iodoniosulfanylphenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-methyl-2-phenyl-phenyl)iodoniosulfanylphenyl]-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [4-[(4-methyl-2-phenylphenyl)iodoniothio]phenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: [4-(4-methyl-2-phenylphenyl)iodoniosulfanylphenyl]-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: [4-[(4-methyl-2-phenyl-phenyl)iodoniothio]phenyl]-diphenyl-sulfonium ditriflate Formula: C33H25F6IO6S4 MolecularWeight: 886.702889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[I+]SC2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)[I+]SC2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C31H25IS2.2CHF3O3S/c1-24-17-22-31(30(23-24)25-11-5-2-6-12-25)32-33-26-18-20-29(21-19-26)34(27-13-7-3-8-14-27)28-15-9-4-10-16-28;2*2-1(3,4)8(5,6)7/h2-23H,1H3;2*(H,5,6,7)/q+2;;/p-2