(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl (6E,9E,12E)-octadeca-6,9,12-trienoate

Systemtic Name: (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl (6E,9E,12E)-octadeca-6,9,12-trienoate Openeye Name: (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl (6E,9E,12E)-octadeca-6,9,12-trienoate CAS Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl ester IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl (6E,9E,12E)-octadeca-6,9,12-trienoate Traditional Name: (6E,9E,12E)-octadeca-6,9,12-trienoic acid (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCC(=O)OCC1=CN=C(C(=C1C=O)O)C

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)OCC1=CN=C(C(=C1C=O)O)C

InChI

InChI=1S/C26H37NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)31-21-23-19-27-22(2)26(30)24(23)20-28/h7-8,10-11,13-14,19-20,30H,3-6,9,12,15-18,21H2,1-2H3/b8-7+,11-10+,14-13+