bis(4-tert-butylphenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(4-tert-butylphenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(4-tert-butylphenyl)iodonium; trifluoromethanesulfonate CAS Name: bis(4-tert-butylphenyl)iodonium; trifluoromethanesulfonate IUPAC Name: bis(4-tert-butylphenyl)iodanium; trifluoromethanesulfonate Traditional Name: bis(4-tert-butylphenyl)iodonium triflate Formula: C21H26F3IO3S MolecularWeight: 542.39402

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

InChI

InChI=1S/C20H26I.CHF3O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;2-1(3,4)8(5,6)7/h7-14H,1-6H3;(H,5,6,7)/q+1;/p-1