[(2S)-2-henicosanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] docosanoate

Systemtic Name: [(2S)-2-henicosanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] docosanoate Openeye Name: [(2S)-2-henicosanoyloxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] docosanoate CAS Name: docosanoic acid [(2S)-2-(1-oxoheneicosoxy)-3-[(Z)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2-henicosanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] docosanoate Traditional Name: behenic acid [(2S)-2-heneicosanoyloxy-3-[(Z)-octadec-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=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

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

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)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-31-29-26-23-20-17-14-11-8-5-2/h27,35,61H,4-26,28-34,36-60H2,1-3H3/b35-27-/t61-/m1/s1