[2-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]-2-oxoethyl] ester IUPAC Name: [2-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-[(6E,9E,12E)-octadeca-6,9,12-trienoxy]ethyl] ester Formula: C26H37NO4 MolecularWeight: 427.57628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCCOC(=O)COC(=O)C1=CN=CC=C1

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCCOC(=O)COC(=O)C1=CN=CC=C1

InChI

InChI=1S/C26H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-25(28)23-31-26(29)24-19-18-20-27-22-24/h6-7,9-10,12-13,18-20,22H,2-5,8,11,14-17,21,23H2,1H3/b7-6+,10-9+,13-12+