3-azaniumyl-2-fluoranyl-4-oxidanyl-4-oxidanylidene-butanoate; (3S)-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 3-azaniumyl-2-fluoranyl-4-oxidanyl-4-oxidanylidene-butanoate; (3S)-3-azaniumyl-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 3-azaniumyl-2-fluoro-4-hydroxy-4-oxo-butanoate; (3S)-3-azaniumyl-4-hydroxy-4-oxo-butanoate CAS Name: 3-ammonio-2-fluoro-4-hydroxy-4-oxobutanoate; (3S)-3-ammonio-4-hydroxy-4-oxobutanoate IUPAC Name: 3-azaniumyl-2-fluoro-4-hydroxy-4-oxobutanoate; (3S)-3-azaniumyl-4-hydroxy-4-oxobutanoate Traditional Name: 3-ammonio-2-fluoro-4-hydroxy-4-keto-butyrate; (3S)-3-ammonio-4-hydroxy-4-keto-butyrate Formula: C8H13FN2O8 MolecularWeight: 284.195823

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)[NH3+])C(=O)[O-].C(C(C(=O)[O-])F)(C(=O)O)[NH3+]

Isomeric SMILES

C([C@@H](C(=O)O)[NH3+])C(=O)[O-].C(C(C(=O)[O-])F)(C(=O)O)[NH3+]

InChI

InChI=1S/C4H6FNO4.C4H7NO4/c5-1(3(7)8)2(6)4(9)10;5-2(4(8)9)1-3(6)7/h1-2H,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1