(4-tert-butylphenyl)-(2-methylphenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-tert-butylphenyl)-(2-methylphenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-tert-butylphenyl)-(o-tolyl)iodonium; trifluoromethanesulfonate CAS Name: (4-tert-butylphenyl)-(2-methylphenyl)iodonium; trifluoromethanesulfonate IUPAC Name: (4-tert-butylphenyl)-(2-methylphenyl)iodanium; trifluoromethanesulfonate Traditional Name: (4-tert-butylphenyl)-(o-tolyl)iodonium triflate Formula: C18H20F3IO3S MolecularWeight: 500.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[I+]C2=CC=C(C=C2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1[I+]C2=CC=C(C=C2)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H20I.CHF3O3S/c1-13-7-5-6-8-16(13)18-15-11-9-14(10-12-15)17(2,3)4;2-1(3,4)8(5,6)7/h5-12H,1-4H3;(H,5,6,7)/q+1;/p-1