(4-tert-butylphenyl)-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-tert-butylphenyl)-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-tert-butylphenyl)-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate CAS Name: (4-tert-butylphenyl)-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate IUPAC Name: (4-tert-butylphenyl)-(4-phenyliodoniophenyl)iodanium; trifluoromethanesulfonate Traditional Name: (4-tert-butylphenyl)-(4-phenyliodoniophenyl)iodonium ditriflate Formula: C24H22F6I2O6S2 MolecularWeight: 838.357239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[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

CC(C)(C)C1=CC=C(C=C1)[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/C22H22I2.2CHF3O3S/c1-22(2,3)17-9-11-19(12-10-17)24-21-15-13-20(14-16-21)23-18-7-5-4-6-8-18;2*2-1(3,4)8(5,6)7/h4-16H,1-3H3;2*(H,5,6,7)/q+2;;/p-2