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

Systemtic Name: [(2S)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] henicosanoate Openeye Name: [(2S)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] henicosanoate CAS Name: heneicosanoic acid [(2S)-2-(1-oxoheptadecoxy)-3-[(Z)-1-oxohexadec-9-enoxy]propyl] ester IUPAC Name: [(2S)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] henicosanoate Traditional Name: heneicosanoic acid [(2S)-2-heptadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxy-propyl] ester Formula: C57H108O6 MolecularWeight: 889.46382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-26-23-20-17-14-11-8-5-2/h21,24,54H,4-20,22-23,25-53H2,1-3H3/b24-21-/t54-/m1/s1