sodium (3-azanyl-1-oxidanyl-1-phosphono-propyl)phosphonic acid tetrahydrate

Systemtic Name: sodium (3-azanyl-1-oxidanyl-1-phosphono-propyl)phosphonic acid tetrahydrate Openeye Name: sodium (3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid tetrahydrate CAS Name: sodium (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid tetrahydrate IUPAC Name: sodium (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid tetrahydrate Traditional Name: sodium (3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid tetrahydrate Formula: C3H19NNaO11P2+ MolecularWeight: 330.120352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H11NO7P2.Na.4H2O/c4-2-1-3(5,12(6,7)8)13(9,10)11;;;;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;4*1H2/q;+1;;;;