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

Systemtic Name: [(2S)-1-nonadecanoyloxy-3-oxidanyl-propan-2-yl] (13Z,16Z)-docosa-13,16-dienoate Openeye Name: [(1S)-1-(hydroxymethyl)-2-nonadecanoyloxy-ethyl] (13Z,16Z)-docosa-13,16-dienoate CAS Name: (13Z,16Z)-docosa-13,16-dienoic acid [(2S)-1-hydroxy-3-(1-oxononadecoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-hydroxy-3-nonadecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate Traditional Name: (13Z,16Z)-docosa-13,16-dienoic acid [(1S)-1-methylol-2-nonadecanoyloxy-ethyl] ester Formula: C44H82O5 MolecularWeight: 691.11888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H82O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(47)49-42(40-45)41-48-43(46)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,42,45H,3-10,12,14-16,18,20-41H2,1-2H3/b13-11-,19-17-/t42-/m0/s1