(4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid; sodium; hydrate

Systemtic Name: (4-azanyl-1-oxidanyl-1-phosphono-butyl)phosphonic acid; sodium; hydrate Openeye Name: (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid; sodium; hydrate CAS Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid; sodium; hydrate IUPAC Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid; sodium; hydrate Traditional Name: (4-amino-1-hydroxy-1-phosphono-butyl)phosphonic acid; sodium; hydrate Formula: C4H15NNa2O8P2 MolecularWeight: 313.090862

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN.O.[Na].[Na]

Isomeric SMILES

C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN.O.[Na].[Na]

InChI

InChI=1S/C4H13NO7P2.2Na.H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;;1H2