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disodium N-(phosphonatomethyl)pyridine-3-carboxamide hydrate

disodium N-(phosphonatomethyl)pyridine-3-carboxamide hydrate

Systemtic Name:disodium N-(phosphonatomethyl)pyridine-3-carboxamide hydrate
Openeye Name:disodium N-(phosphonatomethyl)pyridine-3-carboxamide hydrate
CAS Name:disodium N-(phosphonatomethyl)-3-pyridinecarboxamide hydrate
IUPAC Name:disodium N-(phosphonatomethyl)pyridine-3-carboxamide hydrate
Traditional Name:disodium N-(phosphonatomethyl)nicotinamide hydrate
Formula: C7H9N2Na2O5P
MolecularWeight: 278.110061
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C7H9N2O4P.2Na.H2O/c10-7(9-5-14(11,12)13)6-2-1-3-8-4-6;;;/h1-4H,5H2,(H,9,10)(H2,11,12,13);;;1H2/q;2*+1;/p-2


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