2-[(5-oxidanyl-6-oxidanylidene-1H-pyridin-2-yl)methyl]octanal

Systemtic Name: 2-[(5-oxidanyl-6-oxidanylidene-1H-pyridin-2-yl)methyl]octanal Openeye Name: 2-[(5-hydroxy-6-oxo-1H-pyridin-2-yl)methyl]octanal CAS Name: 2-[(5-hydroxy-6-oxo-1H-pyridin-2-yl)methyl]octanal IUPAC Name: 2-[(5-hydroxy-6-oxo-1H-pyridin-2-yl)methyl]octanal Traditional Name: 2-[(5-hydroxy-6-keto-1H-pyridin-2-yl)methyl]caprylaldehyde Formula: C14H21NO3 MolecularWeight: 251.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CC=C(C(=O)N1)O)C=O

Isomeric SMILES

CCCCCCC(CC1=CC=C(C(=O)N1)O)C=O

InChI

InChI=1S/C14H21NO3/c1-2-3-4-5-6-11(10-16)9-12-7-8-13(17)14(18)15-12/h7-8,10-11,17H,2-6,9H2,1H3,(H,15,18)