calcium 5-butylpyridine-2-carboxylate

Systemtic Name: calcium 5-butylpyridine-2-carboxylate Openeye Name: calcium 5-butylpyridine-2-carboxylate CAS Name: calcium 5-butyl-2-pyridinecarboxylate IUPAC Name: calcium 5-butylpyridine-2-carboxylate Traditional Name: calcium 5-butylpicolinate Formula: C20H24CaN2O4 MolecularWeight: 396.49356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C(=O)[O-].CCCCC1=CN=C(C=C1)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCC1=CN=C(C=C1)C(=O)[O-].CCCCC1=CN=C(C=C1)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H13NO2.Ca/c2*1-2-3-4-8-5-6-9(10(12)13)11-7-8;/h2*5-7H,2-4H2,1H3,(H,12,13);/q;;+2/p-2