[(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

Systemtic Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate Openeye Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate CAS Name: (10Z,13Z,16Z)-docosa-10,13,16-trienoic acid [(2S)-2,3-bis[(Z)-1-oxohexadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate Traditional Name: (10Z,13Z,16Z)-docosa-10,13,16-trienoic acid [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] ester Formula: C57H100O6 MolecularWeight: 881.4003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-21,23-26,28-29,54H,4-15,17-18,22,27,30-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-,29-28-/t54-/m1/s1