sodium 5-azanyl-2H-phthalazin-3-ide-1,4-dione hydrate

Systemtic Name: sodium 5-azanyl-2H-phthalazin-3-ide-1,4-dione hydrate Openeye Name: sodium 5-amino-2H-phthalazin-3-ide-1,4-dione hydrate CAS Name: sodium 5-amino-2H-phthalazin-3-ide-1,4-dione hydrate IUPAC Name: sodium 5-amino-2H-phthalazin-3-ide-1,4-dione hydrate Traditional Name: sodium 5-amino-2H-phthalazin-3-ide-1,4-quinone hydrate Formula: C8H8N3NaO3 MolecularWeight: 217.15719

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N)C(=O)[N-]NC2=O.O.[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)N)C(=O)[N-]NC2=O.O.[Na+]

InChI

InChI=1S/C8H7N3O2.Na.H2O/c9-5-3-1-2-4-6(5)8(13)11-10-7(4)12;;/h1-3H,(H4,9,10,11,12,13);;1H2/q;+1;/p-1