sodium 2-nitropropanedial hydrate

Systemtic Name: sodium 2-nitropropanedial hydrate Openeye Name: sodium 2-nitropropanedial hydrate CAS Name: sodium 2-nitropropanedial hydrate IUPAC Name: sodium 2-nitropropanedial hydrate Traditional Name: sodium 2-nitromalonaldehyde hydrate Formula: C3H5NNaO5+ MolecularWeight: 158.06527

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Descriptors Computed from Structure

Canonical SMILES:

C(=O)C(C=O)[N+](=O)[O-].O.[Na+]

Isomeric SMILES

C(=O)C(C=O)[N+](=O)[O-].O.[Na+]

InChI

InChI=1S/C3H3NO4.Na.H2O/c5-1-3(2-6)4(7)8;;/h1-3H;;1H2/q;+1;