[1,3-bis(azanyl)-3-oxidanylidene-1-phosphono-propyl]phosphonic acid dihydrate

Systemtic Name: [1,3-bis(azanyl)-3-oxidanylidene-1-phosphono-propyl]phosphonic acid dihydrate Openeye Name: (1,3-diamino-3-oxo-1-phosphono-propyl)phosphonic acid dihydrate CAS Name: (1,3-diamino-3-oxo-1-phosphonopropyl)phosphonic acid dihydrate IUPAC Name: (1,3-diamino-3-oxo-1-phosphonopropyl)phosphonic acid dihydrate Traditional Name: (1,3-diamino-3-keto-1-phosphono-propyl)phosphonic acid dihydrate Formula: C3H14N2O9P2 MolecularWeight: 284.098782

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)N)C(N)(P(=O)(O)O)P(=O)(O)O.O.O

Isomeric SMILES

C(C(=O)N)C(N)(P(=O)(O)O)P(=O)(O)O.O.O

InChI

InChI=1S/C3H10N2O7P2.2H2O/c4-2(6)1-3(5,13(7,8)9)14(10,11)12;;/h1,5H2,(H2,4,6)(H2,7,8,9)(H2,10,11,12);2*1H2