[(2S)-2-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-docosanoyloxy-ethyl] docosanoate

Systemtic Name: [(2S)-2-[(2R)-4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-docosanoyloxy-ethyl] docosanoate Openeye Name: [(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furyl]-2-docosanoyloxy-ethyl] docosanoate CAS Name: docosanoic acid [(2S)-2-[(2R)-4,5-dihydroxy-3-oxo-2-furanyl]-2-(1-oxodocosoxy)ethyl] ester IUPAC Name: [(2S)-2-[(2R)-4,5-dihydroxy-3-oxofuran-2-yl]-2-docosanoyloxyethyl] docosanoate Traditional Name: behenic acid [(2S)-2-[(2R)-4,5-dihydroxy-3-keto-2-furyl]-2-docosanoyloxy-ethyl] ester Formula: C50H92O8 MolecularWeight: 821.26068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=O)C(=C(O1)O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H92O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45(51)56-43-44(49-47(53)48(54)50(55)58-49)57-46(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44,49,54-55H,3-43H2,1-2H3/t44-,49+/m0/s1