[(2S)-2-docosanoyloxy-3-phenylmethoxy-propyl] docosanoate

Systemtic Name: [(2S)-2-docosanoyloxy-3-phenylmethoxy-propyl] docosanoate Openeye Name: [(2S)-3-benzyloxy-2-docosanoyloxy-propyl] docosanoate CAS Name: docosanoic acid [(2S)-2-(1-oxodocosoxy)-3-phenylmethoxypropyl] ester IUPAC Name: [(2S)-2-docosanoyloxy-3-phenylmethoxypropyl] docosanoate Traditional Name: behenic acid [(2S)-3-benzoxy-2-docosanoyloxy-propyl] ester Formula: C54H98O5 MolecularWeight: 827.35292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C54H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-46-53(55)58-50-52(49-57-48-51-44-40-39-41-45-51)59-54(56)47-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-41,44-45,52H,3-38,42-43,46-50H2,1-2H3/t52-/m0/s1