[4-(2-iodaniumyl-5-methyl-3-phenyl-phenoxy)phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(2-iodaniumyl-5-methyl-3-phenyl-phenoxy)phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-(2-iodonio-5-methyl-3-phenyl-phenoxy)phenyl]-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [4-(2-iodonio-5-methyl-3-phenylphenoxy)phenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: [4-(2-iodonio-5-methyl-3-phenylphenoxy)phenyl]-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: [4-(2-iodonio-5-methyl-3-phenyl-phenoxy)phenyl]-diphenyl-sulfonium ditriflate Formula: C33H25F6IO7S3 MolecularWeight: 870.637289

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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.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

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.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C31H25IOS.2CHF3O3S/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*2-1(3,4)8(5,6)7/h2-22,32H,1H3;2*(H,5,6,7)/q+2;;/p-2