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

Systemtic Name: [(2S)-2,3-bis[[(Z)-heptadec-9-enoyl]oxy]propyl] henicosanoate Openeye Name: [(2S)-2,3-bis[[(Z)-heptadec-9-enoyl]oxy]propyl] henicosanoate CAS Name: heneicosanoic acid [(2S)-2,3-bis[(Z)-1-oxoheptadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2,3-bis[[(Z)-heptadec-9-enoyl]oxy]propyl] henicosanoate Traditional Name: heneicosanoic acid [(2S)-2,3-bis[[(Z)-heptadec-9-enoyl]oxy]propyl] ester Formula: C58H108O6 MolecularWeight: 901.47452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h23-24,26-27,55H,4-22,25,28-54H2,1-3H3/b26-23-,27-24-/t55-/m1/s1