bis(4-tert-butylphenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 4-(trifluoromethyl)besylate Formula: C27H30F3IO3S MolecularWeight: 618.48998

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

InChI

InChI=1S/C20H26I.C7H5F3O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h7-14H,1-6H3;1-4H,(H,11,12,13)/q+1;/p-1