(3-octadecanoyloxy-2-oxidanyl-propyl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate

Systemtic Name: (3-octadecanoyloxy-2-oxidanyl-propyl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate Openeye Name: (2-hydroxy-3-octadecanoyloxy-propyl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate CAS Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoic acid [2-hydroxy-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: (2-hydroxy-3-octadecanoyloxypropyl) (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate Traditional Name: (5E,8E,11E,14E)-eicosa-5,8,11,14-tetraenoic acid (2-hydroxy-3-stearoyloxy-propyl) ester Formula: C41H72O5 MolecularWeight: 645.00738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)O

InChI

InChI=1S/C41H72O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3/b13-11+,19-17+,24-22+,30-28+