[(3S,4R,5R)-4-methyl-5-oxidanyl-1,6-bis(oxidanylidene)hexan-3-yl] 2-oxidanylidenebutanoate

Systemtic Name: [(3S,4R,5R)-4-methyl-5-oxidanyl-1,6-bis(oxidanylidene)hexan-3-yl] 2-oxidanylidenebutanoate Openeye Name: [(1S,2R,3R)-3-hydroxy-2-methyl-4-oxo-1-(2-oxoethyl)butyl] 2-oxobutanoate CAS Name: 2-oxobutanoic acid [(3S,4R,5R)-5-hydroxy-4-methyl-1,6-dioxohexan-3-yl] ester IUPAC Name: [(3S,4R,5R)-5-hydroxy-4-methyl-1,6-dioxohexan-3-yl] 2-oxobutanoate Traditional Name: 2-ketobutyric acid [(1S,2R,3R)-3-hydroxy-4-keto-1-(2-ketoethyl)-2-methyl-butyl] ester Formula: C11H16O6 MolecularWeight: 244.24114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)OC(CC=O)C(C)C(C=O)O

Isomeric SMILES

CCC(=O)C(=O)O[C@@H](CC=O)[C@H](C)[C@H](C=O)O

InChI

InChI=1S/C11H16O6/c1-3-8(14)11(16)17-10(4-5-12)7(2)9(15)6-13/h5-7,9-10,15H,3-4H2,1-2H3/t7-,9+,10+/m1/s1