[(2S)-1-heptadecanoyloxy-3-oxidanyl-propan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate

Systemtic Name: [(2S)-1-heptadecanoyloxy-3-oxidanyl-propan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate Openeye Name: [(1S)-1-(heptadecanoyloxymethyl)-2-hydroxy-ethyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate CAS Name: (8Z,11Z,14Z)-eicosa-8,11,14-trienoic acid [(2S)-1-hydroxy-3-(1-oxoheptadecoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-heptadecanoyloxy-3-hydroxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate Traditional Name: (8Z,11Z,14Z)-eicosa-8,11,14-trienoic acid [(1S)-1-(heptadecanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C40H72O5 MolecularWeight: 632.99668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC=CCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC

InChI

InChI=1S/C40H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23,38,41H,3-10,12,14-16,18,20,22,24-37H2,1-2H3/b13-11-,19-17-,23-21-/t38-/m0/s1