[(5Z,28Z)-tritriaconta-5,28-dien-17-yl] pyridine-4-carboxylate

Systemtic Name: [(5Z,28Z)-tritriaconta-5,28-dien-17-yl] pyridine-4-carboxylate Openeye Name: [(Z)-1-[(Z)-hexadec-11-enyl]heptadec-12-enyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(5Z,28Z)-tritriaconta-5,28-dien-17-yl] ester IUPAC Name: [(5Z,28Z)-tritriaconta-5,28-dien-17-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(Z)-1-[(Z)-hexadec-11-enyl]heptadec-12-enyl] ester Formula: C39H67NO2 MolecularWeight: 581.95478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCCCCCCCCCCC(CCCCCCCCCCC=CCCCC)OC(=O)C1=CC=NC=C1

Isomeric SMILES

CCCC/C=C\CCCCCCCCCCC(OC(=O)C1=CC=NC=C1)CCCCCCCCCC/C=C\CCCC

InChI

InChI=1S/C39H67NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(42-39(41)37-33-35-40-36-34-37)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9-12,33-36,38H,3-8,13-32H2,1-2H3/b11-9-,12-10-