[4-[4-(3-iodaniumyl-2,6-dimethyl-phenyl)phenyl]sulfanylphenyl]-diphenyl-sulfanium dihexafluorophosphate

Systemtic Name: [4-[4-(3-iodaniumyl-2,6-dimethyl-phenyl)phenyl]sulfanylphenyl]-diphenyl-sulfanium dihexafluorophosphate Openeye Name: [4-[4-(3-iodonio-2,6-dimethyl-phenyl)phenyl]sulfanylphenyl]-diphenyl-sulfonium dihexafluorophosphate CAS Name: [4-[[4-(3-iodonio-2,6-dimethylphenyl)phenyl]thio]phenyl]-diphenylsulfonium dihexafluorophosphate IUPAC Name: [4-[4-(3-iodonio-2,6-dimethylphenyl)phenyl]sulfanylphenyl]-diphenylsulfanium dihexafluorophosphate Traditional Name: [4-[[4-(3-iodonio-2,6-dimethyl-phenyl)phenyl]thio]phenyl]-diphenyl-sulfonium dihexafluorophosphate Formula: C32H27F12IP2S2 MolecularWeight: 892.51961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[IH+])C)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=C(C(=C(C=C1)[IH+])C)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/C32H27IS2.2F6P/c1-23-13-22-31(33)24(2)32(23)25-14-16-26(17-15-25)34-27-18-20-30(21-19-27)35(28-9-5-3-6-10-28)29-11-7-4-8-12-29;2*1-7(2,3,4,5)6/h3-22,33H,1-2H3;;/q+2;2*-1