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

Systemtic Name: (4-tert-butylphenyl)-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-tert-butylphenyl)-phenyl-iodonium; trifluoromethanesulfonate CAS Name: (4-tert-butylphenyl)-phenyliodonium; trifluoromethanesulfonate IUPAC Name: (4-tert-butylphenyl)-phenyliodanium; trifluoromethanesulfonate Traditional Name: (4-tert-butylphenyl)-phenyl-iodonium triflate Formula: C17H18F3IO3S MolecularWeight: 486.2877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18I.CHF3O3S/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1