5-chloranyl-6-octoxy-pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-octoxy-pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-octoxy-pyridine-3-carboxylic acid CAS Name: 5-chloro-6-octoxy-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-octoxypyridine-3-carboxylic acid Traditional Name: 5-chloro-6-octoxy-nicotinic acid Formula: C14H20ClNO3 MolecularWeight: 285.7665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=N1)C(=O)O)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=N1)C(=O)O)Cl

InChI

InChI=1S/C14H20ClNO3/c1-2-3-4-5-6-7-8-19-13-12(15)9-11(10-16-13)14(17)18/h9-10H,2-8H2,1H3,(H,17,18)