[(2S)-1-icosanoyloxy-3-oxidanyl-propan-2-yl] docosanoate

Systemtic Name: [(2S)-1-icosanoyloxy-3-oxidanyl-propan-2-yl] docosanoate Openeye Name: [(1S)-1-(hydroxymethyl)-2-icosanoyloxy-ethyl] docosanoate CAS Name: docosanoic acid [(2S)-1-hydroxy-3-(1-oxoeicosoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] docosanoate Traditional Name: behenic acid [(1S)-1-(eicosanoyloxymethyl)-2-hydroxy-ethyl] ester Formula: C45H88O5 MolecularWeight: 709.17722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C45H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(48)50-43(41-46)42-49-44(47)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h43,46H,3-42H2,1-2H3/t43-/m0/s1