bis(4-tert-butylphenyl)iodanium; 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; 3-(trifluoromethyl)benzenesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; 3-(trifluoromethyl)benzenesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; 3-(trifluoromethyl)benzenesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; 3-(trifluoromethyl)benzenesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium; 3-(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(=C1)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

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

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)5-2-1-3-6(4-5)14(11,12)13/h7-14H,1-6H3;1-4H,(H,11,12,13)/q+1;/p-1