1-octyl-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-octyl-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-octyl-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-octyl-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-octyl-6-oxopyridine-3-carboxylic acid Traditional Name: 6-keto-1-octyl-nicotinic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C=CC1=O)C(=O)O

Isomeric SMILES

CCCCCCCCN1C=C(C=CC1=O)C(=O)O

InChI

InChI=1S/C14H21NO3/c1-2-3-4-5-6-7-10-15-11-12(14(17)18)8-9-13(15)16/h8-9,11H,2-7,10H2,1H3,(H,17,18)