(4-bromophenyl)-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-bromophenyl)-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-bromophenyl)-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate CAS Name: (4-bromophenyl)-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate IUPAC Name: (4-bromophenyl)-(4-phenyliodoniophenyl)iodanium; trifluoromethanesulfonate Traditional Name: (4-bromophenyl)-(4-phenyliodoniophenyl)iodonium ditriflate Formula: C20H13BrF6I2O6S2 MolecularWeight: 861.146979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[I+]C3=CC=C(C=C3)Br.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[I+]C3=CC=C(C=C3)Br.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H13BrI2.2CHF3O3S/c19-14-6-8-16(9-7-14)21-18-12-10-17(11-13-18)20-15-4-2-1-3-5-15;2*2-1(3,4)8(5,6)7/h1-13H;2*(H,5,6,7)/q+2;;/p-2