1,3-bis(oxidanyl)propan-2-yl 3-oxidanylidenebutanoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl 3-oxidanylidenebutanoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl 3-oxobutanoate Traditional Name: 3-ketobutyric acid (2-hydroxy-1-methylol-ethyl) ester Formula: C7H12O5 MolecularWeight: 176.16718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O5/c1-5(10)2-7(11)12-6(3-8)4-9/h6,8-9H,2-4H2,1H3