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

Systemtic Name: [(2S)-1-hexadecanoyloxy-3-oxidanyl-propan-2-yl] (13Z,16Z)-docosa-13,16-dienoate Openeye Name: [(1S)-1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] (13Z,16Z)-docosa-13,16-dienoate CAS Name: (13Z,16Z)-docosa-13,16-dienoic acid [(2S)-1-hydroxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate Traditional Name: (13Z,16Z)-docosa-13,16-dienoic acid [(1S)-1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C41H76O5 MolecularWeight: 649.03914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42H,3-10,12,14-16,19-38H2,1-2H3/b13-11-,18-17-/t39-/m0/s1