[(E)-docos-13-enyl] docosanoate

Systemtic Name: [(E)-docos-13-enyl] docosanoate Openeye Name: [(E)-docos-13-enyl] docosanoate CAS Name: docosanoic acid [(E)-docos-13-enyl] ester IUPAC Name: [(E)-docos-13-enyl] docosanoate Traditional Name: behenic acid [(E)-docos-13-enyl] ester Formula: C44H86O2 MolecularWeight: 647.15244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C44H86O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-43H2,1-2H3/b19-17+