[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] (Z)-icos-11-enoate

Systemtic Name: [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] (Z)-icos-11-enoate Openeye Name: [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-octadecanoyloxy-propyl] (Z)-icos-11-enoate CAS Name: (Z)-11-eicosenoic 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] (Z)-icos-11-enoate Traditional Name: (Z)-eicos-11-enoic acid [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-stearoyloxy-propyl] ester Formula: C59H108O6 MolecularWeight: 913.48522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C59H108O6/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/h18,21,25,27-28,31,56H,4-17,19-20,22-24,26,29-30,32-55H2,1-3H3/b21-18-,28-25-,31-27-/t56-/m1/s1