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

Systemtic Name: [4-[4-(2-iodaniumyl-5-methyl-phenyl)phenyl]sulfanylphenyl]-diphenyl-sulfanium dihexafluorophosphate Openeye Name: [4-[4-(2-iodonio-5-methyl-phenyl)phenyl]sulfanylphenyl]-diphenyl-sulfonium dihexafluorophosphate CAS Name: [4-[[4-(2-iodonio-5-methylphenyl)phenyl]thio]phenyl]-diphenylsulfonium dihexafluorophosphate IUPAC Name: [4-[4-(2-iodonio-5-methylphenyl)phenyl]sulfanylphenyl]-diphenylsulfanium dihexafluorophosphate Traditional Name: [4-[[4-(2-iodonio-5-methyl-phenyl)phenyl]thio]phenyl]-diphenyl-sulfonium dihexafluorophosphate Formula: C31H25F12IP2S2 MolecularWeight: 878.49303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[IH+])C2=CC=C(C=C2)SC3=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)SC3=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/C31H25IS2.2F6P/c1-23-12-21-31(32)30(22-23)24-13-15-25(16-14-24)33-26-17-19-29(20-18-26)34(27-8-4-2-5-9-27)28-10-6-3-7-11-28;2*1-7(2,3,4,5)6/h2-22,32H,1H3;;/q+2;2*-1