[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] icosanoate

Systemtic Name: [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] icosanoate Openeye Name: [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] icosanoate CAS Name: eicosanoic acid [(2R)-2-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxypropyl] icosanoate Traditional Name: arachidic acid [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-stearoyloxy-propyl] ester Formula: C59H110O6 MolecularWeight: 915.5011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,27,31,56H,4-17,19-20,22-26,28-30,32-55H2,1-3H3/b21-18-,31-27-/t56-/m1/s1