bis(3-nitrophenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: bis(3-nitrophenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: bis(3-nitrophenyl)iodonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: bis(3-nitrophenyl)iodonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: bis(3-nitrophenyl)iodanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: bis(3-nitrophenyl)iodonium; 4-(trifluoromethyl)besylate Formula: C19H12F3IN2O7S MolecularWeight: 596.27246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8IN2O4.C7H5F3O3S/c16-14(17)11-5-1-3-9(7-11)13-10-4-2-6-12(8-10)15(18)19;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-8H;1-4H,(H,11,12,13)/q+1;/p-1