[(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-nonadecanoyloxy-propyl] icosanoate

Systemtic Name: [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-nonadecanoyloxy-propyl] icosanoate Openeye Name: [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-nonadecanoyloxy-propyl] icosanoate CAS Name: eicosanoic acid [(2S)-3-[(Z)-1-oxoheptadec-9-enoxy]-2-(1-oxononadecoxy)propyl] ester IUPAC Name: [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-nonadecanoyloxypropyl] icosanoate Traditional Name: arachidic acid [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-nonadecanoyloxy-propyl] ester Formula: C59H112O6 MolecularWeight: 917.51698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-29-26-23-20-17-14-11-8-5-2/h24,27,56H,4-23,25-26,28-55H2,1-3H3/b27-24-/t56-/m1/s1