(2-fluoranyl-2,2-dinitro-ethyl) 3-nitrobenzenesulfonate

Systemtic Name: (2-fluoranyl-2,2-dinitro-ethyl) 3-nitrobenzenesulfonate Openeye Name: (2-fluoro-2,2-dinitro-ethyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (2-fluoro-2,2-dinitroethyl) ester IUPAC Name: (2-fluoro-2,2-dinitroethyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (2-fluoro-2,2-dinitro-ethyl) ester Formula: C8H6FN3O9S MolecularWeight: 339.211343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-]

InChI

InChI=1S/C8H6FN3O9S/c9-8(11(15)16,12(17)18)5-21-22(19,20)7-3-1-2-6(4-7)10(13)14/h1-4H,5H2