[4-[2,4-dimethyl-6-(phenylmethyl)phenyl]iodoniosulfanylphenyl]-diphenyl-sulfanium dihexafluorophosphate

Systemtic Name: [4-[2,4-dimethyl-6-(phenylmethyl)phenyl]iodoniosulfanylphenyl]-diphenyl-sulfanium dihexafluorophosphate Openeye Name: [4-(2-benzyl-4,6-dimethyl-phenyl)iodoniosulfanylphenyl]-diphenyl-sulfonium dihexafluorophosphate CAS Name: [4-[[2,4-dimethyl-6-(phenylmethyl)phenyl]iodoniothio]phenyl]-diphenylsulfonium dihexafluorophosphate IUPAC Name: [4-(2-benzyl-4,6-dimethylphenyl)iodoniosulfanylphenyl]-diphenylsulfanium dihexafluorophosphate Traditional Name: [4-[(2-benzyl-4,6-dimethyl-phenyl)iodoniothio]phenyl]-diphenyl-sulfonium dihexafluorophosphate Formula: C33H29F12IP2S2 MolecularWeight: 906.54619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CC2=CC=CC=C2)[I+]SC3=CC=C(C=C3)[S+](C4=CC=CC=C4)C5=CC=CC=C5)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1=CC(=C(C(=C1)CC2=CC=CC=C2)[I+]SC3=CC=C(C=C3)[S+](C4=CC=CC=C4)C5=CC=CC=C5)C.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C33H29IS2.2F6P/c1-25-22-26(2)33(28(23-25)24-27-12-6-3-7-13-27)34-35-29-18-20-32(21-19-29)36(30-14-8-4-9-15-30)31-16-10-5-11-17-31;2*1-7(2,3,4,5)6/h3-23H,24H2,1-2H3;;/q+2;2*-1