(2-fluoranyl-2,2-dinitro-ethyl) 4-chloranylbenzenesulfonate

Systemtic Name: (2-fluoranyl-2,2-dinitro-ethyl) 4-chloranylbenzenesulfonate Openeye Name: (2-fluoro-2,2-dinitro-ethyl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (2-fluoro-2,2-dinitroethyl) ester IUPAC Name: (2-fluoro-2,2-dinitroethyl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (2-fluoro-2,2-dinitro-ethyl) ester Formula: C8H6ClFN2O7S MolecularWeight: 328.658843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)Cl

InChI

InChI=1S/C8H6ClFN2O7S/c9-6-1-3-7(4-2-6)20(17,18)19-5-8(10,11(13)14)12(15)16/h1-4H,5H2