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

Systemtic Name: benzenesulfonate; bis[4-(trifluoromethyl)phenyl]iodanium Openeye Name: benzenesulfonate; bis[4-(trifluoromethyl)phenyl]iodonium CAS Name: benzenesulfonate; bis[4-(trifluoromethyl)phenyl]iodonium IUPAC Name: benzenesulfonate; bis[4-(trifluoromethyl)phenyl]iodanium Traditional Name: bis[4-(trifluoromethyl)phenyl]iodonium besylate Formula: C20H13F6IO3S MolecularWeight: 574.275309

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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.C6H6O3S/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;7-10(8,9)6-4-2-1-3-5-6/h1-8H;1-5H,(H,7,8,9)/q+1;/p-1