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

Systemtic Name: calcium 5-(4-chloranylphenoxy)pyridine-2-carboxylate Openeye Name: calcium 5-(4-chlorophenoxy)pyridine-2-carboxylate CAS Name: calcium 5-(4-chlorophenoxy)-2-pyridinecarboxylate IUPAC Name: calcium 5-(4-chlorophenoxy)pyridine-2-carboxylate Traditional Name: calcium 5-(4-chlorophenoxy)picolinate Formula: C24H14CaCl2N2O6 MolecularWeight: 537.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=CN=C(C=C2)C(=O)[O-])Cl.C1=CC(=CC=C1OC2=CN=C(C=C2)C(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

C1=CC(=CC=C1OC2=CN=C(C=C2)C(=O)[O-])Cl.C1=CC(=CC=C1OC2=CN=C(C=C2)C(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/2C12H8ClNO3.Ca/c2*13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10;/h2*1-7H,(H,15,16);/q;;+2/p-2