[(2S)-1-[(Z)-octadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] (13Z,16Z)-docosa-13,16-dienoate

Systemtic Name: [(2S)-1-[(Z)-octadec-9-enoyl]oxy-3-oxidanyl-propan-2-yl] (13Z,16Z)-docosa-13,16-dienoate Openeye Name: [(1S)-1-(hydroxymethyl)-2-[(Z)-octadec-9-enoyl]oxy-ethyl] (13Z,16Z)-docosa-13,16-dienoate CAS Name: (13Z,16Z)-docosa-13,16-dienoic acid [(2S)-1-hydroxy-3-[(Z)-1-oxooctadec-9-enoxy]propan-2-yl] ester IUPAC Name: [(2S)-1-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate Traditional Name: (13Z,16Z)-docosa-13,16-dienoic acid [(1S)-1-methylol-2-[(Z)-octadec-9-enoyl]oxy-ethyl] ester Formula: C43H78O5 MolecularWeight: 675.07642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H78O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17-19,23,41,44H,3-10,12,14-16,20-22,24-40H2,1-2H3/b13-11-,19-17-,23-18-/t41-/m0/s1