calcium (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid carbonate

Systemtic Name: calcium (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid carbonate Openeye Name: calcium [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid carbonate CAS Name: calcium [1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphonic acid carbonate IUPAC Name: calcium (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid carbonate Traditional Name: calcium [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid carbonate Formula: C8H11CaNO10P2 MolecularWeight: 383.199162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O.C(=O)([O-])[O-].[Ca+2]

Isomeric SMILES

C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O.C(=O)([O-])[O-].[Ca+2]

InChI

InChI=1S/C7H11NO7P2.CH2O3.Ca/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;2-1(3)4;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);(H2,2,3,4);/q;;+2/p-2