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

Systemtic Name: [4-[[4-(2-iodaniumylphenyl)phenyl]methyl]phenyl]-diphenyl-sulfanium dihexafluorophosphate Openeye Name: [4-[[4-(2-iodoniophenyl)phenyl]methyl]phenyl]-diphenyl-sulfonium dihexafluorophosphate CAS Name: [4-[[4-(2-iodoniophenyl)phenyl]methyl]phenyl]-diphenylsulfonium dihexafluorophosphate IUPAC Name: [4-[[4-(2-iodoniophenyl)phenyl]methyl]phenyl]-diphenylsulfanium dihexafluorophosphate Traditional Name: [4-[4-(2-iodoniophenyl)benzyl]phenyl]-diphenyl-sulfonium dihexafluorophosphate Formula: C31H25F12IP2S MolecularWeight: 846.42803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H25IS.2F6P/c32-31-14-8-7-13-30(31)26-19-15-24(16-20-26)23-25-17-21-29(22-18-25)33(27-9-3-1-4-10-27)28-11-5-2-6-12-28;2*1-7(2,3,4,5)6/h1-22,32H,23H2;;/q+2;2*-1