bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: bis[4-(1,1-dimethylpropyl)phenyl]iodonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: bis[4-(2-methylbutan-2-yl)phenyl]iodonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: bis(4-tert-amylphenyl)iodonium; 4-(trifluoromethyl)besylate Formula: C29H34F3IO3S MolecularWeight: 646.54314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)CC.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)CC.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H30I.C7H5F3O3S/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h9-16H,7-8H2,1-6H3;1-4H,(H,11,12,13)/q+1;/p-1