[(2S)-1-icosanoyloxy-3-oxidanyl-propan-2-yl] (13Z,16Z)-docosa-13,16-dienoate

Systemtic Name: [(2S)-1-icosanoyloxy-3-oxidanyl-propan-2-yl] (13Z,16Z)-docosa-13,16-dienoate Openeye Name: [(1S)-1-(hydroxymethyl)-2-icosanoyloxy-ethyl] (13Z,16Z)-docosa-13,16-dienoate CAS Name: (13Z,16Z)-docosa-13,16-dienoic acid [(2S)-1-hydroxy-3-(1-oxoeicosoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate Traditional Name: (13Z,16Z)-docosa-13,16-dienoic acid [(1S)-1-(eicosanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C45H84O5 MolecularWeight: 705.14546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C45H84O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43,46H,3-10,12,14-16,18,20-42H2,1-2H3/b13-11-,19-17-/t43-/m0/s1