[(2S)-2-henicosanoyloxy-3-oxidanyl-propyl] henicosanoate

Systemtic Name: [(2S)-2-henicosanoyloxy-3-oxidanyl-propyl] henicosanoate Openeye Name: [(2S)-2-henicosanoyloxy-3-hydroxy-propyl] henicosanoate CAS Name: heneicosanoic acid [(2S)-3-hydroxy-2-(1-oxoheneicosoxy)propyl] ester IUPAC Name: [(2S)-2-henicosanoyloxy-3-hydroxypropyl] henicosanoate Traditional Name: heneicosanoic acid [(2S)-2-heneicosanoyloxy-3-hydroxy-propyl] ester Formula: C45H88O5 MolecularWeight: 709.17722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCCC

InChI

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