6-(3-oxidanylidenehexadecanoyl)pyridine-2-carboxylic acid

Systemtic Name: 6-(3-oxidanylidenehexadecanoyl)pyridine-2-carboxylic acid Openeye Name: 6-(3-oxohexadecanoyl)pyridine-2-carboxylic acid CAS Name: 6-(1,3-dioxohexadecyl)-2-pyridinecarboxylic acid IUPAC Name: 6-(3-oxohexadecanoyl)pyridine-2-carboxylic acid Traditional Name: 6-(3-ketohexadecanoyl)picolinic acid Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)CC(=O)C1=NC(=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)CC(=O)C1=NC(=CC=C1)C(=O)O

InChI

InChI=1S/C22H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-14-18(24)17-21(25)19-15-13-16-20(23-19)22(26)27/h13,15-16H,2-12,14,17H2,1H3,(H,26,27)