bis[4-(trifluoromethyl)phenyl]iodanium; 4-methylbenzenesulfonate

Systemtic Name: bis[4-(trifluoromethyl)phenyl]iodanium; 4-methylbenzenesulfonate Openeye Name: bis[4-(trifluoromethyl)phenyl]iodonium; 4-methylbenzenesulfonate CAS Name: bis[4-(trifluoromethyl)phenyl]iodonium; 4-methylbenzenesulfonate IUPAC Name: bis[4-(trifluoromethyl)phenyl]iodanium; 4-methylbenzenesulfonate Traditional Name: bis[4-(trifluoromethyl)phenyl]iodonium tosylate Formula: C21H15F6IO3S MolecularWeight: 588.301889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1C(F)(F)F)[I+]C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC(=CC=C1C(F)(F)F)[I+]C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H8F6I.C7H8O3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H;2-5H,1H3,(H,8,9,10)/q+1;/p-1