bis(2-tert-butylphenyl)iodanium; diphenyliodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(2-tert-butylphenyl)iodanium; diphenyliodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(2-tert-butylphenyl)iodonium; diphenyliodonium; trifluoromethanesulfonate CAS Name: bis(2-tert-butylphenyl)iodonium; diphenyliodonium; trifluoromethanesulfonate IUPAC Name: bis(2-tert-butylphenyl)iodanium; diphenyliodanium; trifluoromethanesulfonate Traditional Name: bis(2-tert-butylphenyl)iodonium; diphenyliodonium; ditriflate Formula: C34H36F6I2O6S2 MolecularWeight: 972.575399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1[I+]C2=CC=CC=C2C(C)(C)C.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)C1=CC=CC=C1[I+]C2=CC=CC=C2C(C)(C)C.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/C20H26I.C12H10I.2CHF3O3S/c1-19(2,3)15-11-7-9-13-17(15)21-18-14-10-8-12-16(18)20(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*2-1(3,4)8(5,6)7/h7-14H,1-6H3;1-10H;2*(H,5,6,7)/q2*+1;;/p-2