3-azanyl-2-(2-fluoranyl-4-nitro-phenyl)-3-oxidanylidene-propane-1-sulfinate

Systemtic Name: 3-azanyl-2-(2-fluoranyl-4-nitro-phenyl)-3-oxidanylidene-propane-1-sulfinate Openeye Name: 3-amino-2-(2-fluoro-4-nitro-phenyl)-3-oxo-propane-1-sulfinate CAS Name: 3-amino-2-(2-fluoro-4-nitrophenyl)-3-oxo-1-propanesulfinate IUPAC Name: 3-amino-2-(2-fluoro-4-nitrophenyl)-3-oxopropane-1-sulfinate Traditional Name: 3-amino-2-(2-fluoro-4-nitro-phenyl)-3-keto-propane-1-sulfinate Formula: C9H8FN2O5S- MolecularWeight: 275.233623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])F)C(CS(=O)[O-])C(=O)N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])F)C(CS(=O)[O-])C(=O)N

InChI

InChI=1S/C9H9FN2O5S/c10-8-3-5(12(14)15)1-2-6(8)7(9(11)13)4-18(16)17/h1-3,7H,4H2,(H2,11,13)(H,16,17)/p-1