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

Systemtic Name: [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] icosanoate Openeye Name: [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] icosanoate CAS Name: eicosanoic acid [(2S)-3-[(Z)-1-oxoheptadec-9-enoxy]-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-octadecanoyloxypropyl] icosanoate Traditional Name: arachidic acid [(2S)-3-[(Z)-heptadec-9-enoyl]oxy-2-stearoyloxy-propyl] ester Formula: C58H110O6 MolecularWeight: 903.4904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-28-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-26-23-20-17-14-11-8-5-2/h24,27,55H,4-23,25-26,28-54H2,1-3H3/b27-24-/t55-/m1/s1