[(2R)-3-icosanoyloxy-2-[(Z)-icos-11-enoyl]oxy-propyl] henicosanoate

Systemtic Name: [(2R)-3-icosanoyloxy-2-[(Z)-icos-11-enoyl]oxy-propyl] henicosanoate Openeye Name: [(2R)-3-icosanoyloxy-2-[(Z)-icos-11-enoyl]oxy-propyl] henicosanoate CAS Name: heneicosanoic acid [(2R)-2-[(Z)-1-oxoeicos-11-enoxy]-3-(1-oxoeicosoxy)propyl] ester IUPAC Name: [(2R)-3-icosanoyloxy-2-[(Z)-icos-11-enoyl]oxypropyl] henicosanoate Traditional Name: heneicosanoic acid [(2R)-3-eicosanoyloxy-2-[(Z)-eicos-11-enoyl]oxy-propyl] ester Formula: C64H122O6 MolecularWeight: 987.64988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,61H,4-26,28-29,31-60H2,1-3H3/b30-27-/t61-/m1/s1