[4-[[4-(2-iodaniumylphenyl)phenyl]methyl]phenyl]-bis(4-methylphenyl)sulfanium; 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate

Systemtic Name: [4-[[4-(2-iodaniumylphenyl)phenyl]methyl]phenyl]-bis(4-methylphenyl)sulfanium; 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate Openeye Name: [4-[[4-(2-iodoniophenyl)phenyl]methyl]phenyl]-bis(p-tolyl)sulfonium; 2,3,4,5,6-pentafluorobenzenesulfonate CAS Name: [4-[[4-(2-iodoniophenyl)phenyl]methyl]phenyl]-bis(4-methylphenyl)sulfonium; 2,3,4,5,6-pentafluorobenzenesulfonate IUPAC Name: [4-[[4-(2-iodoniophenyl)phenyl]methyl]phenyl]-bis(4-methylphenyl)sulfanium; 2,3,4,5,6-pentafluorobenzenesulfonate Traditional Name: [4-[4-(2-iodoniophenyl)benzyl]phenyl]-bis(p-tolyl)sulfonium; 2,3,4,5,6-pentafluorobesylate Formula: C45H29F10IO6S3 MolecularWeight: 1078.791662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)CC4=CC=C(C=C4)C5=CC=CC=C5[IH+].C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)CC4=CC=C(C=C4)C5=CC=CC=C5[IH+].C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F

InChI

InChI=1S/C33H29IS.2C6HF5O3S/c1-24-7-17-29(18-8-24)35(30-19-9-25(2)10-20-30)31-21-13-27(14-22-31)23-26-11-15-28(16-12-26)32-5-3-4-6-33(32)34;2*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h3-22,34H,23H2,1-2H3;2*(H,12,13,14)/q+2;;/p-2