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

Systemtic Name: [(2S)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-octadecanoyloxy-propyl] nonadecanoate Openeye Name: [(2S)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-octadecanoyloxy-propyl] nonadecanoate CAS Name: nonadecanoic 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] nonadecanoate Traditional Name: nonadecanoic acid [(2S)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-stearoyloxy-propyl] ester Formula: C57H106O6 MolecularWeight: 887.44794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h15,18,24,27,54H,4-14,16-17,19-23,25-26,28-53H2,1-3H3/b18-15-,27-24-/t54-/m1/s1