sodium 6-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxylate Openeye Name: sodium 6-[(5-chloro-2-isobutoxy-phenyl)methyl]pyridine-2-carboxylate CAS Name: sodium 6-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]pyridine-2-carboxylate Traditional Name: sodium 6-(5-chloro-2-isobutoxy-benzyl)picolinate Formula: C17H17ClNNaO3 MolecularWeight: 341.76455

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Cl)CC2=CC=CC(=N2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Cl)CC2=CC=CC(=N2)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H18ClNO3.Na/c1-11(2)10-22-16-7-6-13(18)8-12(16)9-14-4-3-5-15(19-14)17(20)21;/h3-8,11H,9-10H2,1-2H3,(H,20,21);/q;+1/p-1