8-oxidanylidene-8-pyridin-3-yl-octanoic acid

Systemtic Name: 8-oxidanylidene-8-pyridin-3-yl-octanoic acid Openeye Name: 8-oxo-8-(3-pyridyl)octanoic acid CAS Name: 8-oxo-8-(3-pyridinyl)octanoic acid IUPAC Name: 8-oxo-8-pyridin-3-yloctanoic acid Traditional Name: 8-keto-8-(3-pyridyl)caprylic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)CCCCCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)CCCCCCC(=O)O

InChI

InChI=1S/C13H17NO3/c15-12(11-6-5-9-14-10-11)7-3-1-2-4-8-13(16)17/h5-6,9-10H,1-4,7-8H2,(H,16,17)