[(2S)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-oxidanyl-propyl] (Z)-icos-11-enoate

Systemtic Name: [(2S)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-oxidanyl-propyl] (Z)-icos-11-enoate Openeye Name: [(2S)-3-hydroxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-propyl] (Z)-icos-11-enoate CAS Name: (Z)-11-eicosenoic acid [(2S)-3-hydroxy-2-[(11Z,14Z)-1-oxoeicosa-11,14-dienoxy]propyl] ester IUPAC Name: [(2S)-3-hydroxy-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (Z)-icos-11-enoate Traditional Name: (Z)-eicos-11-enoic acid [(2S)-2-[(11Z,14Z)-eicosa-11,14-dienoyl]oxy-3-hydroxy-propyl] ester Formula: C43H78O5 MolecularWeight: 675.07642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-40-41(39-44)48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,41,44H,3-11,13,15-16,21-40H2,1-2H3/b14-12-,19-17-,20-18-/t41-/m0/s1