trisodium; 2-azanyl-4-oxidanyl-4-oxidanylidene-butanoate; 2-(aziridin-1-yl)butanedioate

Systemtic Name: trisodium; 2-azanyl-4-oxidanyl-4-oxidanylidene-butanoate; 2-(aziridin-1-yl)butanedioate Openeye Name: trisodium; 2-amino-4-hydroxy-4-oxo-butanoate; 2-(aziridin-1-yl)butanedioate CAS Name: trisodium; 2-amino-4-hydroxy-4-oxobutanoate; 2-(1-aziridinyl)butanedioate IUPAC Name: trisodium; 2-amino-4-hydroxy-4-oxobutanoate; 2-(aziridin-1-yl)butanedioate Traditional Name: trisodium; 2-amino-4-hydroxy-4-keto-butyrate; 2-ethyleniminosuccinate Formula: C10H13N2Na3O8 MolecularWeight: 358.18813

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C(CC(=O)[O-])C(=O)[O-].C(C(C(=O)[O-])N)C(=O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1CN1C(CC(=O)[O-])C(=O)[O-].C(C(C(=O)[O-])N)C(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C6H9NO4.C4H7NO4.3Na/c8-5(9)3-4(6(10)11)7-1-2-7;5-2(4(8)9)1-3(6)7;;;/h4H,1-3H2,(H,8,9)(H,10,11);2H,1,5H2,(H,6,7)(H,8,9);;;/q;;3*+1/p-3