bis(3,5-dimethylphenyl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(3,5-dimethylphenyl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(3,5-dimethylphenyl)iodonium; trifluoromethanesulfonate CAS Name: bis(3,5-dimethylphenyl)iodonium; trifluoromethanesulfonate IUPAC Name: bis(3,5-dimethylphenyl)iodanium; trifluoromethanesulfonate Traditional Name: bis(3,5-dimethylphenyl)iodonium triflate Formula: C17H18F3IO3S MolecularWeight: 486.2877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18I.CHF3O3S/c1-11-5-12(2)8-15(7-11)17-16-9-13(3)6-14(4)10-16;2-1(3,4)8(5,6)7/h5-10H,1-4H3;(H,5,6,7)/q+1;/p-1