6-[6-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]pyridin-2-yl]hexaneperoxoic acid

Systemtic Name: 6-[6-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]pyridin-2-yl]hexaneperoxoic acid Openeye Name: 6-[6-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]-2-pyridyl]hexaneperoxoic acid CAS Name: 6-[6-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]-2-pyridinyl]hexaneperoxoic acid IUPAC Name: 6-[6-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexaneperoxoic acid Traditional Name: 6-[6-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]-2-pyridyl]hexaneperoxoic acid Formula: C22H33NO4 MolecularWeight: 375.50172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC1=NC(=CC=C1)CCCCCC(=O)OO)O

Isomeric SMILES

CCCCC/C=C/CC(/C=C/C1=NC(=CC=C1)CCCCCC(=O)OO)O

InChI

InChI=1S/C22H33NO4/c1-2-3-4-5-6-9-15-21(24)18-17-20-14-11-13-19(23-20)12-8-7-10-16-22(25)27-26/h6,9,11,13-14,17-18,21,24,26H,2-5,7-8,10,12,15-16H2,1H3/b9-6+,18-17+