2-ethanoyl-3,3-dimethyl-butanoate; 3-oxidanylidenebutanoate

Systemtic Name: 2-ethanoyl-3,3-dimethyl-butanoate; 3-oxidanylidenebutanoate Openeye Name: 2-acetyl-3,3-dimethyl-butanoate; 3-oxobutanoate CAS Name: 2-acetyl-3,3-dimethylbutanoate; 3-oxobutanoate IUPAC Name: 2-acetyl-3,3-dimethylbutanoate; 3-oxobutanoate Traditional Name: acetoacetate; 2-acetyl-3,3-dimethyl-butyrate Formula: C12H18O6-2 MolecularWeight: 258.26772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)[O-].CC(=O)C(C(=O)[O-])C(C)(C)C

Isomeric SMILES

CC(=O)CC(=O)[O-].CC(=O)C(C(=O)[O-])C(C)(C)C

InChI

InChI=1S/C8H14O3.C4H6O3/c1-5(9)6(7(10)11)8(2,3)4;1-3(5)2-4(6)7/h6H,1-4H3,(H,10,11);2H2,1H3,(H,6,7)/p-2