[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-icosanoyloxy-ethyl] icosanoate

Systemtic Name: [2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-icosanoyloxy-ethyl] icosanoate Openeye Name: [2-(4,5-dihydroxy-3-oxo-2-furyl)-2-icosanoyloxy-ethyl] icosanoate CAS Name: eicosanoic acid [2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-(1-oxoeicosoxy)ethyl] ester IUPAC Name: [2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-icosanoyloxyethyl] icosanoate Traditional Name: arachidic acid [2-(4,5-dihydroxy-3-keto-2-furyl)-2-eicosanoyloxy-ethyl] ester Formula: C46H84O8 MolecularWeight: 765.15436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)O)OC(=O)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)O)OC(=O)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H84O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(47)52-39-40(45-43(49)44(50)46(51)54-45)53-42(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40,45,50-51H,3-39H2,1-2H3