iron; N-[3-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)propyl]octanamide

Systemtic Name: iron; N-[3-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)propyl]octanamide Openeye Name: N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)propyl]octanamide; iron CAS Name: N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]octanamide; iron IUPAC Name: N-[3-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)propyl]octanamide; iron Traditional Name: N-[3-(3-hydroxy-4-keto-2-methyl-1-pyridyl)propyl]caprylamide; iron Formula: C51H84FeN6O9 MolecularWeight: 981.09246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCCN1C=CC(=O)C(=C1C)O.CCCCCCCC(=O)NCCCN1C=CC(=O)C(=C1C)O.CCCCCCCC(=O)NCCCN1C=CC(=O)C(=C1C)O.[Fe]

Isomeric SMILES

CCCCCCCC(=O)NCCCN1C=CC(=O)C(=C1C)O.CCCCCCCC(=O)NCCCN1C=CC(=O)C(=C1C)O.CCCCCCCC(=O)NCCCN1C=CC(=O)C(=C1C)O.[Fe]

InChI

InChI=1S/3C17H28N2O3.Fe/c3*1-3-4-5-6-7-9-16(21)18-11-8-12-19-13-10-15(20)17(22)14(19)2;/h3*10,13,22H,3-9,11-12H2,1-2H3,(H,18,21);