[(2S)-2-henicosanoyloxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-propyl] docosanoate

Systemtic Name: [(2S)-2-henicosanoyloxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-propyl] docosanoate Openeye Name: [(2S)-2-henicosanoyloxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-propyl] docosanoate CAS Name: docosanoic acid [(2S)-2-(1-oxoheneicosoxy)-3-[(9Z,12Z)-1-oxoheptadeca-9,12-dienoxy]propyl] ester IUPAC Name: [(2S)-2-henicosanoyloxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropyl] docosanoate Traditional Name: behenic acid [(2S)-2-heneicosanoyloxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-propyl] ester Formula: C63H118O6 MolecularWeight: 971.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-31-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,60H,4-14,16-17,19-23,25-26,28-59H2,1-3H3/b18-15-,27-24-/t60-/m1/s1