[3-docosanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] docosanoate

Systemtic Name: [3-docosanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] docosanoate Openeye Name: [3-docosanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] docosanoate CAS Name: docosanoic acid [3-(1-oxodocosoxy)-2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [3-docosanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] docosanoate Traditional Name: behenic acid [3-docosanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] ester Formula: C65H122O6 MolecularWeight: 999.66058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC

InChI

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