disodium (1-oxidanyl-1-phosphonato-3-pyrrolidin-1-yl-propyl)phosphonic acid

Systemtic Name: disodium (1-oxidanyl-1-phosphonato-3-pyrrolidin-1-yl-propyl)phosphonic acid Openeye Name: disodium (1-hydroxy-1-phosphonato-3-pyrrolidin-1-yl-propyl)phosphonic acid CAS Name: disodium [1-hydroxy-1-phosphonato-3-(1-pyrrolidinyl)propyl]phosphonic acid IUPAC Name: disodium (1-hydroxy-1-phosphonato-3-pyrrolidin-1-ylpropyl)phosphonic acid Traditional Name: disodium (1-hydroxy-1-phosphonato-3-pyrrolidino-propyl)phosphonic acid Formula: C7H15NNa2O7P2 MolecularWeight: 333.123562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(O)(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1CCN(C1)CCC(O)(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C7H17NO7P2.2Na/c9-7(16(10,11)12,17(13,14)15)3-6-8-4-1-2-5-8;;/h9H,1-6H2,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2