[(2S)-2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] icosanoate

Systemtic Name: [(2S)-2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] icosanoate Openeye Name: [(2S)-2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] icosanoate CAS Name: eicosanoic acid [(2S)-2-(1-oxoeicosoxy)-3-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]propyl] ester IUPAC Name: [(2S)-2-icosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] icosanoate Traditional Name: arachidic acid [(2S)-2-eicosanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] ester Formula: C61H114O6 MolecularWeight: 943.55426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C61H114O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h18,21,27,32,58H,4-17,19-20,22-26,28-31,33-57H2,1-3H3/b21-18-,32-27-/t58-/m1/s1