[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-hexadecanoyloxy-propyl] docosanoate

Systemtic Name: [(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-hexadecanoyloxy-propyl] docosanoate Openeye Name: [(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-hexadecanoyloxy-propyl] docosanoate CAS Name: docosanoic acid [(2R)-2-[(Z)-1-oxoheptadec-9-enoxy]-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-hexadecanoyloxypropyl] docosanoate Traditional Name: behenic acid [(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-hexadecanoyloxy-propyl] ester Formula: C58H110O6 MolecularWeight: 903.4904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-34-36-39-42-45-48-51-57(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)52-49-46-43-40-37-33-26-23-20-17-14-11-8-5-2/h23,26,55H,4-22,24-25,27-54H2,1-3H3/b26-23-/t55-/m1/s1