4-fluoranyl-3-(hydroxymethyl)-4,4-dinitro-butanoic acid

Systemtic Name: 4-fluoranyl-3-(hydroxymethyl)-4,4-dinitro-butanoic acid Openeye Name: 4-fluoro-3-(hydroxymethyl)-4,4-dinitro-butanoic acid CAS Name: 4-fluoro-3-(hydroxymethyl)-4,4-dinitrobutanoic acid IUPAC Name: 4-fluoro-3-(hydroxymethyl)-4,4-dinitrobutanoic acid Traditional Name: 4-fluoro-3-methylol-4,4-dinitro-butyric acid Formula: C5H7FN2O7 MolecularWeight: 226.116683

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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)C([N+](=O)[O-])([N+](=O)[O-])F)C(=O)O

Isomeric SMILES

C(C(CO)C([N+](=O)[O-])([N+](=O)[O-])F)C(=O)O

InChI

InChI=1S/C5H7FN2O7/c6-5(7(12)13,8(14)15)3(2-9)1-4(10)11/h3,9H,1-2H2,(H,10,11)