ethanal; 3-oxidanylidenebutanoate

Systemtic Name: ethanal; 3-oxidanylidenebutanoate Openeye Name: acetaldehyde; 3-oxobutanoate CAS Name: acetaldehyde; 3-oxobutanoate IUPAC Name: acetaldehyde; 3-oxobutanoate Traditional Name: acetaldehyde; acetoacetate Formula: C6H9O4- MolecularWeight: 145.13326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O3.C2H4O/c1-3(5)2-4(6)7;1-2-3/h2H2,1H3,(H,6,7);2H,1H3/p-1