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calcium pyridine-3-carboxylate

calcium pyridine-3-carboxylate

Systemtic Name:calcium pyridine-3-carboxylate
Openeye Name:calcium pyridine-3-carboxylate
CAS Name:calcium 3-pyridinecarboxylate
IUPAC Name:calcium pyridine-3-carboxylate
Traditional Name:calcium nicotinate
Formula: C12H8CaN2O4
MolecularWeight: 284.28092
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C6H5NO2.Ca/c2*8-6(9)5-2-1-3-7-4-5;/h2*1-4H,(H,8,9);/q;;+2/p-2


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