[(1R,2R)-1,3-bis(oxidanyl)-1-(5-oxidanylidene-2H-furan-3-yl)propan-2-yl] hexanoate

Systemtic Name: [(1R,2R)-1,3-bis(oxidanyl)-1-(5-oxidanylidene-2H-furan-3-yl)propan-2-yl] hexanoate Openeye Name: [(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(5-oxo-2H-furan-3-yl)ethyl] hexanoate CAS Name: hexanoic acid [(1R,2R)-1,3-dihydroxy-1-(5-oxo-2H-furan-3-yl)propan-2-yl] ester IUPAC Name: [(1R,2R)-1,3-dihydroxy-1-(5-oxo-2H-furan-3-yl)propan-2-yl] hexanoate Traditional Name: hexanoic acid [(1R,2R)-2-hydroxy-2-(5-keto-2H-furan-3-yl)-1-methylol-ethyl] ester Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(CO)C(C1=CC(=O)OC1)O

Isomeric SMILES

CCCCCC(=O)O[C@H](CO)[C@@H](C1=CC(=O)OC1)O

InChI

InChI=1S/C13H20O6/c1-2-3-4-5-11(15)19-10(7-14)13(17)9-6-12(16)18-8-9/h6,10,13-14,17H,2-5,7-8H2,1H3/t10-,13-/m1/s1