calcium 5-(4-chloranylbutoxy)pyridine-2-carboxylate

Systemtic Name: calcium 5-(4-chloranylbutoxy)pyridine-2-carboxylate Openeye Name: calcium 5-(4-chlorobutoxy)pyridine-2-carboxylate CAS Name: calcium 5-(4-chlorobutoxy)-2-pyridinecarboxylate IUPAC Name: calcium 5-(4-chlorobutoxy)pyridine-2-carboxylate Traditional Name: calcium 5-(4-chlorobutoxy)picolinate Formula: C20H22CaCl2N2O6 MolecularWeight: 497.38248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1OCCCCCl)C(=O)[O-].C1=CC(=NC=C1OCCCCCl)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC(=NC=C1OCCCCCl)C(=O)[O-].C1=CC(=NC=C1OCCCCCl)C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C10H12ClNO3.Ca/c2*11-5-1-2-6-15-8-3-4-9(10(13)14)12-7-8;/h2*3-4,7H,1-2,5-6H2,(H,13,14);/q;;+2/p-2