[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-icosanoyloxy-propyl] icosanoate

Systemtic Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-icosanoyloxy-propyl] icosanoate Openeye Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-icosanoyloxy-propyl] icosanoate CAS Name: eicosanoic acid [(2S)-2-(1-oxoeicosoxy)-3-[(Z)-1-oxohexadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-icosanoyloxypropyl] icosanoate Traditional Name: arachidic acid [(2S)-2-eicosanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] ester Formula: C59H112O6 MolecularWeight: 917.51698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C59H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,56H,4-20,22-23,25-55H2,1-3H3/b24-21-/t56-/m1/s1