butanoate; 3-oxidanylidenebutanoate

Systemtic Name: butanoate; 3-oxidanylidenebutanoate Openeye Name: butanoate; 3-oxobutanoate CAS Name: butanoate; 3-oxobutanoate IUPAC Name: butanoate; 3-oxobutanoate Traditional Name: acetoacetate; butyrate Formula: C8H12O5-2 MolecularWeight: 188.17788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O3.C4H8O2/c1-3(5)2-4(6)7;1-2-3-4(5)6/h2H2,1H3,(H,6,7);2-3H2,1H3,(H,5,6)/p-2