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

Systemtic Name: [4-[(4-methyl-2-phenyl-phenyl)iodoniomethyl]phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-[(4-methyl-2-phenyl-phenyl)iodoniomethyl]phenyl]-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [4-[(4-methyl-2-phenylphenyl)iodoniomethyl]phenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: [4-[(4-methyl-2-phenylphenyl)iodoniomethyl]phenyl]-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: [4-[(4-methyl-2-phenyl-phenyl)iodoniomethyl]phenyl]-diphenyl-sulfonium ditriflate Formula: C34H27F6IO6S3 MolecularWeight: 868.664469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[I+]CC2=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+]CC2=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/C32H27IS.2CHF3O3S/c1-25-17-22-32(31(23-25)27-11-5-2-6-12-27)33-24-26-18-20-30(21-19-26)34(28-13-7-3-8-14-28)29-15-9-4-10-16-29;2*2-1(3,4)8(5,6)7/h2-23H,24H2,1H3;2*(H,5,6,7)/q+2;;/p-2