bis(4-methylphenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: bis(4-methylphenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: bis-p-tolyliodonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: bis(4-methylphenyl)iodonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: bis(4-methylphenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: bis-p-tolyliodonium; 4-(trifluoromethyl)besylate Formula: C21H18F3IO3S MolecularWeight: 534.3305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I.C7H5F3O3S/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h3-10H,1-2H3;1-4H,(H,11,12,13)/q+1;/p-1