3,3-dimethylbut-1-ynyl-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3,3-dimethylbut-1-ynyl-(4-phenyliodoniophenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: 3,3-dimethylbut-1-ynyl-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate CAS Name: 3,3-dimethylbut-1-ynyl-(4-phenyliodoniophenyl)iodonium; trifluoromethanesulfonate IUPAC Name: 3,3-dimethylbut-1-ynyl-(4-phenyliodoniophenyl)iodanium; trifluoromethanesulfonate Traditional Name: 3,3-dimethylbut-1-ynyl-(4-phenyliodoniophenyl)iodonium ditriflate Formula: C20H18F6I2O6S2 MolecularWeight: 786.282679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18I2.2CHF3O3S/c1-18(2,3)13-14-19-15-9-11-17(12-10-15)20-16-7-5-4-6-8-16;2*2-1(3,4)8(5,6)7/h4-12H,1-3H3;2*(H,5,6,7)/q+2;;/p-2