[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] henicosanoate

Systemtic Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] henicosanoate Openeye Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] henicosanoate CAS Name: heneicosanoic acid [(2R)-3-(1-oxohexadecoxy)-2-[(9Z,12Z,15Z)-1-oxooctadeca-9,12,15-trienoxy]propyl] ester IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] henicosanoate Traditional Name: heneicosanoic acid [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-propyl] ester Formula: C58H106O6 MolecularWeight: 899.45864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,30,55H,4-7,9-10,12-16,18-19,21-25,27-29,31-54H2,1-3H3/b11-8-,20-17-,30-26-/t55-/m1/s1