[(2S)-2-henicosanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] (13Z,16Z)-docosa-13,16-dienoate

Systemtic Name: [(2S)-2-henicosanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] (13Z,16Z)-docosa-13,16-dienoate Openeye Name: [(2S)-2-henicosanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] (13Z,16Z)-docosa-13,16-dienoate CAS Name: (13Z,16Z)-docosa-13,16-dienoic acid [(2S)-2-(1-oxoheneicosoxy)-3-[(Z)-1-oxohexadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2-henicosanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate Traditional Name: (13Z,16Z)-docosa-13,16-dienoic acid [(2S)-2-heneicosanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] ester Formula: C62H114O6 MolecularWeight: 955.56496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C62H114O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-34-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,59H,4-15,17-18,20,22-23,26,28-58H2,1-3H3/b19-16-,24-21-,27-25-/t59-/m1/s1