(2,6-dimethylphenyl)-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (2,6-dimethylphenyl)-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (2,6-dimethylphenyl)-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate CAS Name: (2,6-dimethylphenyl)-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate IUPAC Name: (2,6-dimethylphenyl)-(4-phenyliodoniophenyl)iodanium; trifluoromethanesulfonate Traditional Name: (2,6-dimethylphenyl)-(4-phenyliodoniophenyl)iodonium ditriflate Formula: C22H18F6I2O6S2 MolecularWeight: 810.304079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[I+]C2=CC=C(C=C2)[I+]C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)[I+]C2=CC=C(C=C2)[I+]C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H18I2.2CHF3O3S/c1-15-7-6-8-16(2)20(15)22-19-13-11-18(12-14-19)21-17-9-4-3-5-10-17;2*2-1(3,4)8(5,6)7/h3-14H,1-2H3;2*(H,5,6,7)/q+2;;/p-2