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

Systemtic Name: [4-(3-iodaniumyl-2-phenyl-phenoxy)phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: [4-(3-iodonio-2-phenyl-phenoxy)phenyl]-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [4-(3-iodonio-2-phenylphenoxy)phenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: [4-(3-iodonio-2-phenylphenoxy)phenyl]-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: [4-(3-iodonio-2-phenyl-phenoxy)phenyl]-diphenyl-sulfonium ditriflate Formula: C32H23F6IO7S3 MolecularWeight: 856.610709

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=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

C1=CC=C(C=C1)C2=C(C=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/C30H23IOS.2CHF3O3S/c31-28-17-10-18-29(30(28)23-11-4-1-5-12-23)32-24-19-21-27(22-20-24)33(25-13-6-2-7-14-25)26-15-8-3-9-16-26;2*2-1(3,4)8(5,6)7/h1-22,31H;2*(H,5,6,7)/q+2;;/p-2