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

Systemtic Name: [(2S)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-octadecanoyloxy-propyl] (Z)-icos-11-enoate Openeye Name: [(2S)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-octadecanoyloxy-propyl] (Z)-icos-11-enoate CAS Name: (Z)-11-eicosenoic acid [(2S)-3-[(9Z,12Z)-1-oxoheptadeca-9,12-dienoxy]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2S)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] (Z)-icos-11-enoate Traditional Name: (Z)-eicos-11-enoic acid [(2S)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-stearoyloxy-propyl] ester Formula: C58H106O6 MolecularWeight: 899.45864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-28-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-26-23-20-17-14-11-8-5-2/h15,18,24-25,27-28,55H,4-14,16-17,19-23,26,29-54H2,1-3H3/b18-15-,27-24-,28-25-/t55-/m1/s1