[2-[(E)-docos-13-enoyl]oxy-3-hexadecanoyloxy-propyl] docosanoate

Systemtic Name: [2-[(E)-docos-13-enoyl]oxy-3-hexadecanoyloxy-propyl] docosanoate Openeye Name: [2-[(E)-docos-13-enoyl]oxy-3-hexadecanoyloxy-propyl] docosanoate CAS Name: docosanoic acid [2-[(E)-1-oxodocos-13-enoxy]-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-[(E)-docos-13-enoyl]oxy-3-hexadecanoyloxypropyl] docosanoate Traditional Name: behenic acid [2-[(E)-docos-13-enoyl]oxy-3-hexadecanoyloxy-propyl] ester Formula: C63H120O6 MolecularWeight: 973.6233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h26,28,60H,4-25,27,29-59H2,1-3H3/b28-26+