[(2S)-2-henicosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] henicosanoate

Systemtic Name: [(2S)-2-henicosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] henicosanoate Openeye Name: [(2S)-2-henicosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] henicosanoate CAS Name: heneicosanoic acid [(2S)-2-(1-oxoheneicosoxy)-3-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [(2S)-2-henicosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] henicosanoate Traditional Name: heneicosanoic acid [(2S)-2-heneicosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] ester Formula: C63H118O6 MolecularWeight: 971.60742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,34,60H,4-17,19-20,22-26,28-33,35-59H2,1-3H3/b21-18-,34-27-/t60-/m1/s1