bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 3,5-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 3,5-bis(trifluoromethyl)benzenesulfonate Openeye Name: bis[4-(1,1-dimethylpropyl)phenyl]iodonium; 3,5-bis(trifluoromethyl)benzenesulfonate CAS Name: bis[4-(2-methylbutan-2-yl)phenyl]iodonium; 3,5-bis(trifluoromethyl)benzenesulfonate IUPAC Name: bis[4-(2-methylbutan-2-yl)phenyl]iodanium; 3,5-bis(trifluoromethyl)benzenesulfonate Traditional Name: bis(4-tert-amylphenyl)iodonium; 3,5-bis(trifluoromethyl)besylate Formula: C30H33F6IO3S MolecularWeight: 714.541109

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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=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H30I.C8H4F6O3S/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;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h9-16H,7-8H2,1-6H3;1-3H,(H,15,16,17)/q+1;/p-1