[(2R)-1-hexadecanoyloxy-3-[(Z)-icos-11-enoyl]oxy-propan-2-yl] icosanoate

Systemtic Name: [(2R)-1-hexadecanoyloxy-3-[(Z)-icos-11-enoyl]oxy-propan-2-yl] icosanoate Openeye Name: [(1R)-1-(hexadecanoyloxymethyl)-2-[(Z)-icos-11-enoyl]oxy-ethyl] icosanoate CAS Name: eicosanoic acid [(2R)-1-[(Z)-1-oxoeicos-11-enoxy]-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [(2R)-1-hexadecanoyloxy-3-[(Z)-icos-11-enoyl]oxypropan-2-yl] icosanoate Traditional Name: arachidic acid [(1R)-1-[[(Z)-eicos-11-enoyl]oxymethyl]-2-hexadecanoyloxy-ethyl] ester Formula: C59H112O6 MolecularWeight: 917.51698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(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)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,56H,4-24,26,28-55H2,1-3H3/b27-25-/t56-/m1/s1