[4-(2-iodaniumyl-5-methyl-3-phenyl-phenoxy)phenyl]-diphenyl-sulfanium dihexafluorophosphate

Systemtic Name: [4-(2-iodaniumyl-5-methyl-3-phenyl-phenoxy)phenyl]-diphenyl-sulfanium dihexafluorophosphate Openeye Name: [4-(2-iodonio-5-methyl-3-phenyl-phenoxy)phenyl]-diphenyl-sulfonium dihexafluorophosphate CAS Name: [4-(2-iodonio-5-methyl-3-phenylphenoxy)phenyl]-diphenylsulfonium dihexafluorophosphate IUPAC Name: [4-(2-iodonio-5-methyl-3-phenylphenoxy)phenyl]-diphenylsulfanium dihexafluorophosphate Traditional Name: [4-(2-iodonio-5-methyl-3-phenyl-phenoxy)phenyl]-diphenyl-sulfonium dihexafluorophosphate Formula: C31H25F12IOP2S MolecularWeight: 862.42743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC=CC=C2)[IH+])OC3=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)C2=CC=CC=C2)[IH+])OC3=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/C31H25IOS.2F6P/c1-23-21-29(24-11-5-2-6-12-24)31(32)30(22-23)33-25-17-19-28(20-18-25)34(26-13-7-3-8-14-26)27-15-9-4-10-16-27;2*1-7(2,3,4,5)6/h2-22,32H,1H3;;/q+2;2*-1