(4-methoxyphenyl)-phenyl-iodanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: (4-methoxyphenyl)-phenyl-iodanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: (4-methoxyphenyl)-phenyl-iodonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: (4-methoxyphenyl)-phenyliodonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: (4-methoxyphenyl)-phenyliodanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: (4-methoxyphenyl)-phenyl-iodonium; 4-(trifluoromethyl)besylate Formula: C20H16F3IO4S MolecularWeight: 536.30332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[I+]C2=CC=CC=C2.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[I+]C2=CC=CC=C2.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12IO.C7H5F3O3S/c1-15-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h2-10H,1H3;1-4H,(H,11,12,13)/q+1;/p-1