[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-icosanoyloxy-propyl] docosanoate

Systemtic Name: [(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-icosanoyloxy-propyl] docosanoate Openeye Name: [(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-icosanoyloxy-propyl] docosanoate CAS Name: docosanoic acid [(2R)-2-[(11Z,14Z)-1-oxoeicosa-11,14-dienoxy]-3-(1-oxoeicosoxy)propyl] ester IUPAC Name: [(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-icosanoyloxypropyl] docosanoate Traditional Name: behenic acid [(2R)-2-[(11Z,14Z)-eicosa-11,14-dienoyl]oxy-3-eicosanoyloxy-propyl] ester Formula: C65H122O6 MolecularWeight: 999.66058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,62H,4-17,19-20,22-26,28-29,31-61H2,1-3H3/b21-18-,30-27-/t62-/m1/s1