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

Systemtic Name: [3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] docosanoate Openeye Name: [3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] docosanoate CAS Name: docosanoic acid [3-(1-oxohexadecoxy)-2-[(9E,12E)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] docosanoate Traditional Name: behenic acid [3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] ester Formula: C59H110O6 MolecularWeight: 915.5011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h17,20,26,31,56H,4-16,18-19,21-25,27-30,32-55H2,1-3H3/b20-17+,31-26+