[2-ethanoyl-2-(hydroxymethyl)-3-oxidanylidene-butyl] 2,2-dimethylpropanoate

Systemtic Name: [2-ethanoyl-2-(hydroxymethyl)-3-oxidanylidene-butyl] 2,2-dimethylpropanoate Openeye Name: [2-acetyl-2-(hydroxymethyl)-3-oxo-butyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-acetyl-2-(hydroxymethyl)-3-oxobutyl] ester IUPAC Name: [2-acetyl-2-(hydroxymethyl)-3-oxobutyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (2-acetyl-3-keto-2-methylol-butyl) ester Formula: C12H20O5 MolecularWeight: 244.2842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CO)(COC(=O)C(C)(C)C)C(=O)C

Isomeric SMILES

CC(=O)C(CO)(COC(=O)C(C)(C)C)C(=O)C

InChI

InChI=1S/C12H20O5/c1-8(14)12(6-13,9(2)15)7-17-10(16)11(3,4)5/h13H,6-7H2,1-5H3