[4-[[4-(2-iodaniumyl-5-methyl-phenyl)phenyl]methyl]phenyl]-diphenyl-sulfanium dihexafluorophosphate

Systemtic Name: [4-[[4-(2-iodaniumyl-5-methyl-phenyl)phenyl]methyl]phenyl]-diphenyl-sulfanium dihexafluorophosphate Openeye Name: [4-[[4-(2-iodonio-5-methyl-phenyl)phenyl]methyl]phenyl]-diphenyl-sulfonium dihexafluorophosphate CAS Name: [4-[[4-(2-iodonio-5-methylphenyl)phenyl]methyl]phenyl]-diphenylsulfonium dihexafluorophosphate IUPAC Name: [4-[[4-(2-iodonio-5-methylphenyl)phenyl]methyl]phenyl]-diphenylsulfanium dihexafluorophosphate Traditional Name: [4-[4-(2-iodonio-5-methyl-phenyl)benzyl]phenyl]-diphenyl-sulfonium dihexafluorophosphate Formula: C32H27F12IP2S MolecularWeight: 860.45461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[IH+])C2=CC=C(C=C2)CC3=CC=C(C=C3)[S+](C4=CC=CC=C4)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)[IH+])C2=CC=C(C=C2)CC3=CC=C(C=C3)[S+](C4=CC=CC=C4)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C32H27IS.2F6P/c1-24-12-21-32(33)31(22-24)27-17-13-25(14-18-27)23-26-15-19-30(20-16-26)34(28-8-4-2-5-9-28)29-10-6-3-7-11-29;2*1-7(2,3,4,5)6/h2-22,33H,23H2,1H3;;/q+2;2*-1