[(2S)-2-docosanoyloxy-3-[(Z)-heptadec-9-enoyl]oxy-propyl] docosanoate

Systemtic Name: [(2S)-2-docosanoyloxy-3-[(Z)-heptadec-9-enoyl]oxy-propyl] docosanoate Openeye Name: [(2S)-2-docosanoyloxy-3-[(Z)-heptadec-9-enoyl]oxy-propyl] docosanoate CAS Name: docosanoic acid [(2S)-2-(1-oxodocosoxy)-3-[(Z)-1-oxoheptadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2-docosanoyloxy-3-[(Z)-heptadec-9-enoyl]oxypropyl] docosanoate Traditional Name: behenic acid [(2S)-2-docosanoyloxy-3-[(Z)-heptadec-9-enoyl]oxy-propyl] ester Formula: C64H122O6 MolecularWeight: 987.64988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

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

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/h24,27,61H,4-23,25-26,28-60H2,1-3H3/b27-24-/t61-/m1/s1