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

Systemtic Name: sodium 6-[[5-chloranyl-2-(2-ethylbutoxy)phenyl]methyl]pyridine-2-carboxylate Openeye Name: sodium 6-[[5-chloro-2-(2-ethylbutoxy)phenyl]methyl]pyridine-2-carboxylate CAS Name: sodium 6-[[5-chloro-2-(2-ethylbutoxy)phenyl]methyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[[5-chloro-2-(2-ethylbutoxy)phenyl]methyl]pyridine-2-carboxylate Traditional Name: sodium 6-[5-chloro-2-(2-ethylbutoxy)benzyl]picolinate Formula: C19H21ClNNaO3 MolecularWeight: 369.81771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClNO3.Na/c1-3-13(4-2)12-24-18-9-8-15(20)10-14(18)11-16-6-5-7-17(21-16)19(22)23;/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23);/q;+1/p-1