hexasodium (1,1-diphosphonato-2-pyridin-3-yl-ethyl)-oxidanidyloxy-phosphinate

Systemtic Name: hexasodium (1,1-diphosphonato-2-pyridin-3-yl-ethyl)-oxidanidyloxy-phosphinate Openeye Name: hexasodium [1,1-diphosphonato-2-(3-pyridyl)ethyl]-oxidooxy-phosphinate CAS Name: hexasodium [1,1-diphosphonato-2-(3-pyridinyl)ethyl]-oxidooxyphosphinate IUPAC Name: hexasodium (1,1-diphosphonato-2-pyridin-3-ylethyl)-oxidooxyphosphinate Traditional Name: hexasodium [1,1-diphosphonato-2-(3-pyridyl)ethyl]-oxidooxy-phosphinate Formula: C7H6NNa6O10P3 MolecularWeight: 494.983143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12NO10P3.6Na/c9-18-21(16,17)7(19(10,11)12,20(13,14)15)4-6-2-1-3-8-5-6;;;;;;/h1-3,5,9H,4H2,(H,16,17)(H2,10,11,12)(H2,13,14,15);;;;;;/q;6*+1/p-6