calcium 5-butoxypyridine-2-carboxylate

Systemtic Name: calcium 5-butoxypyridine-2-carboxylate Openeye Name: calcium 5-butoxypyridine-2-carboxylate CAS Name: calcium 5-butoxy-2-pyridinecarboxylate IUPAC Name: calcium 5-butoxypyridine-2-carboxylate Traditional Name: calcium 5-butoxypicolinate Formula: C20H24CaN2O6 MolecularWeight: 428.49236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CN=C(C=C1)C(=O)[O-].CCCCOC1=CN=C(C=C1)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCOC1=CN=C(C=C1)C(=O)[O-].CCCCOC1=CN=C(C=C1)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H13NO3.Ca/c2*1-2-3-6-14-8-4-5-9(10(12)13)11-7-8;/h2*4-5,7H,2-3,6H2,1H3,(H,12,13);/q;;+2/p-2