bis(2,3-ditert-butylphenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(2,3-ditert-butylphenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(2,3-ditert-butylphenyl)iodonium; trifluoromethanesulfonate CAS Name: bis(2,3-ditert-butylphenyl)iodonium; trifluoromethanesulfonate IUPAC Name: bis(2,3-ditert-butylphenyl)iodanium; trifluoromethanesulfonate Traditional Name: bis(2,3-ditert-butylphenyl)iodonium triflate Formula: C29H42F3IO3S MolecularWeight: 654.60666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC=C1)[I+]C2=CC=CC(=C2C(C)(C)C)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C(=CC=C1)[I+]C2=CC=CC(=C2C(C)(C)C)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H42I.CHF3O3S/c1-25(2,3)19-15-13-17-21(23(19)27(7,8)9)29-22-18-14-16-20(26(4,5)6)24(22)28(10,11)12;2-1(3,4)8(5,6)7/h13-18H,1-12H3;(H,5,6,7)/q+1;/p-1