[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] (11Z,14Z)-icosa-11,14-dienoate

Systemtic Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] (11Z,14Z)-icosa-11,14-dienoate Openeye Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] (11Z,14Z)-icosa-11,14-dienoate CAS Name: (11Z,14Z)-eicosa-11,14-dienoic acid [(2S)-3-[(Z)-1-oxohexadec-9-enoxy]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-octadecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate Traditional Name: (11Z,14Z)-eicosa-11,14-dienoic acid [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-stearoyloxy-propyl] ester Formula: C57H104O6 MolecularWeight: 885.43206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,54H,4-15,17-18,20,22-23,26,28-53H2,1-3H3/b19-16-,24-21-,27-25-/t54-/m1/s1