disodium 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate hydrate

Systemtic Name: disodium 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate hydrate Openeye Name: disodium 2-(4-carboxylato-2-pyridyl)pyridine-4-carboxylate hydrate CAS Name: disodium 2-(4-carboxylato-2-pyridinyl)-4-pyridinecarboxylate hydrate IUPAC Name: disodium 2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate hydrate Traditional Name: disodium 2-(4-carboxylato-2-pyridyl)isonicotinate hydrate Formula: C12H8N2Na2O5 MolecularWeight: 306.18186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C(=O)[O-])C2=NC=CC(=C2)C(=O)[O-].O.[Na+].[Na+]

Isomeric SMILES

C1=CN=C(C=C1C(=O)[O-])C2=NC=CC(=C2)C(=O)[O-].O.[Na+].[Na+]

InChI

InChI=1S/C12H8N2O4.2Na.H2O/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;;;/h1-6H,(H,15,16)(H,17,18);;;1H2/q;2*+1;/p-2