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

Systemtic Name: [2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] docosanoate Openeye Name: [2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] docosanoate CAS Name: docosanoic acid [2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: [2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] docosanoate Traditional Name: behenic acid [2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-3-stearoyloxy-propyl] ester Formula: C61H114O6 MolecularWeight: 943.55426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h18,21,27,33,58H,4-17,19-20,22-26,28-32,34-57H2,1-3H3/b21-18+,33-27+