disodium (2-oxidanyl-1-phosphonato-2-pyridin-3-yl-ethyl)phosphonic acid

Systemtic Name: disodium (2-oxidanyl-1-phosphonato-2-pyridin-3-yl-ethyl)phosphonic acid Openeye Name: disodium [2-hydroxy-1-phosphonato-2-(3-pyridyl)ethyl]phosphonic acid CAS Name: disodium [2-hydroxy-1-phosphonato-2-(3-pyridinyl)ethyl]phosphonic acid IUPAC Name: disodium (2-hydroxy-1-phosphonato-2-pyridin-3-ylethyl)phosphonic acid Traditional Name: disodium [2-hydroxy-1-phosphonato-2-(3-pyridyl)ethyl]phosphonic acid Formula: C7H9NNa2O7P2 MolecularWeight: 327.075922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(C(P(=O)(O)O)P(=O)([O-])[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CN=C1)C(C(P(=O)(O)O)P(=O)([O-])[O-])O.[Na+].[Na+]

InChI

InChI=1S/C7H11NO7P2.2Na/c9-6(5-2-1-3-8-4-5)7(16(10,11)12)17(13,14)15;;/h1-4,6-7,9H,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2