[4-(2,4-dimethyl-3-phenyl-phenyl)iodoniosulfanylphenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(2,4-dimethyl-3-phenyl-phenyl)iodoniosulfanylphenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-(2,4-dimethyl-3-phenyl-phenyl)iodoniosulfanylphenyl]-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [4-[(2,4-dimethyl-3-phenylphenyl)iodoniothio]phenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: [4-(2,4-dimethyl-3-phenylphenyl)iodoniosulfanylphenyl]-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: [4-[(2,4-dimethyl-3-phenyl-phenyl)iodoniothio]phenyl]-diphenyl-sulfonium ditriflate Formula: C34H27F6IO6S4 MolecularWeight: 900.729469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H27IS2.2CHF3O3S/c1-24-18-23-31(25(2)32(24)26-12-6-3-7-13-26)33-34-27-19-21-30(22-20-27)35(28-14-8-4-9-15-28)29-16-10-5-11-17-29;2*2-1(3,4)8(5,6)7/h3-23H,1-2H3;2*(H,5,6,7)/q+2;;/p-2