[4-iodaniumyl-3-(4-phenylphenyl)phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-iodaniumyl-3-(4-phenylphenyl)phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-iodonio-3-(4-phenylphenyl)phenyl]-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [4-iodonio-3-(4-phenylphenyl)phenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: [4-iodonio-3-(4-phenylphenyl)phenyl]-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: [4-iodonio-3-(4-phenylphenyl)phenyl]-diphenyl-sulfonium ditriflate Formula: C32H23F6IO6S3 MolecularWeight: 840.611309

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H23IS.2CHF3O3S/c31-30-21-20-28(32(26-12-6-2-7-13-26)27-14-8-3-9-15-27)22-29(30)25-18-16-24(17-19-25)23-10-4-1-5-11-23;2*2-1(3,4)8(5,6)7/h1-22,31H;2*(H,5,6,7)/q+2;;/p-2