diphenyl-[4-[(2-phenylphenyl)iodoniomethyl]phenyl]sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: diphenyl-[4-[(2-phenylphenyl)iodoniomethyl]phenyl]sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: diphenyl-[4-[(2-phenylphenyl)iodoniomethyl]phenyl]sulfonium; trifluoromethanesulfonate CAS Name: diphenyl-[4-[(2-phenylphenyl)iodoniomethyl]phenyl]sulfonium; trifluoromethanesulfonate IUPAC Name: diphenyl-[4-[(2-phenylphenyl)iodoniomethyl]phenyl]sulfanium; trifluoromethanesulfonate Traditional Name: diphenyl-[4-[(2-phenylphenyl)iodoniomethyl]phenyl]sulfonium ditriflate Formula: C33H25F6IO6S3 MolecularWeight: 854.637889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2[I+]CC3=CC=C(C=C3)[S+](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

C1=CC=C(C=C1)C2=CC=CC=C2[I+]CC3=CC=C(C=C3)[S+](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/C31H25IS.2CHF3O3S/c1-4-12-26(13-5-1)30-18-10-11-19-31(30)32-24-25-20-22-29(23-21-25)33(27-14-6-2-7-15-27)28-16-8-3-9-17-28;2*2-1(3,4)8(5,6)7/h1-23H,24H2;2*(H,5,6,7)/q+2;;/p-2