[(2R)-1-[(Z)-docos-13-enoyl]oxy-3-heptadecanoyloxy-propan-2-yl] docosanoate

Systemtic Name: [(2R)-1-[(Z)-docos-13-enoyl]oxy-3-heptadecanoyloxy-propan-2-yl] docosanoate Openeye Name: [(1R)-1-[[(Z)-docos-13-enoyl]oxymethyl]-2-heptadecanoyloxy-ethyl] docosanoate CAS Name: docosanoic acid [(2R)-1-[(Z)-1-oxodocos-13-enoxy]-3-(1-oxoheptadecoxy)propan-2-yl] ester IUPAC Name: [(2R)-1-[(Z)-docos-13-enoyl]oxy-3-heptadecanoyloxypropan-2-yl] docosanoate Traditional Name: behenic acid [(1R)-1-[[(Z)-docos-13-enoyl]oxymethyl]-2-heptadecanoyloxy-ethyl] ester Formula: C64H122O6 MolecularWeight: 987.64988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C64H122O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-/t61-/m1/s1