bis(4-tert-butylphenyl)iodanium; diphenyliodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; diphenyliodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; diphenyliodonium; trifluoromethanesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; diphenyliodonium; trifluoromethanesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; diphenyliodanium; trifluoromethanesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; diphenyliodonium; triflate Formula: C33H36F3I2O3S+ MolecularWeight: 823.50629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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