[2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] 3-oxidanylidenebutanoate

Systemtic Name: [2-(hydroxymethyl)-1,5-bis(oxidanyl)pentan-2-yl] 3-oxidanylidenebutanoate Openeye Name: [4-hydroxy-1,1-bis(hydroxymethyl)butyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] ester IUPAC Name: [1,5-dihydroxy-2-(hydroxymethyl)pentan-2-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid (4-hydroxy-1,1-dimethylol-butyl) ester Formula: C10H18O6 MolecularWeight: 234.24632

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC(CCCO)(CO)CO

Isomeric SMILES

CC(=O)CC(=O)OC(CCCO)(CO)CO

InChI

InChI=1S/C10H18O6/c1-8(14)5-9(15)16-10(6-12,7-13)3-2-4-11/h11-13H,2-7H2,1H3