[(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] henicosanoate

Systemtic Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] henicosanoate Openeye Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] henicosanoate CAS Name: heneicosanoic acid [(2S)-2,3-bis[(Z)-1-oxohexadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] henicosanoate Traditional Name: heneicosanoic acid [(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] ester Formula: C56H104O6 MolecularWeight: 873.42136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCC)OC(=O)CCCCCCCC=CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-32-34-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-35-31-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h20-21,23-24,53H,4-19,22,25-52H2,1-3H3/b23-20-,24-21-/t53-/m1/s1