(1-azanyl-3-diethoxyphosphoryl-1-phosphono-propyl)phosphonic acid dihydrate

Systemtic Name: (1-azanyl-3-diethoxyphosphoryl-1-phosphono-propyl)phosphonic acid dihydrate Openeye Name: (1-amino-3-diethoxyphosphoryl-1-phosphono-propyl)phosphonic acid dihydrate CAS Name: (1-amino-3-diethoxyphosphoryl-1-phosphonopropyl)phosphonic acid dihydrate IUPAC Name: (1-amino-3-diethoxyphosphoryl-1-phosphonopropyl)phosphonic acid dihydrate Traditional Name: (1-amino-3-diethoxyphosphoryl-1-phosphono-propyl)phosphonic acid dihydrate Formula: C7H24NO11P3 MolecularWeight: 391.186843

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(N)(P(=O)(O)O)P(=O)(O)O)OCC.O.O

Isomeric SMILES

CCOP(=O)(CCC(N)(P(=O)(O)O)P(=O)(O)O)OCC.O.O

InChI

InChI=1S/C7H20NO9P3.2H2O/c1-3-16-18(9,17-4-2)6-5-7(8,19(10,11)12)20(13,14)15;;/h3-6,8H2,1-2H3,(H2,10,11,12)(H2,13,14,15);2*1H2