3-oxidanylidenebutanoate; propanedioate

Systemtic Name: 3-oxidanylidenebutanoate; propanedioate Openeye Name: 3-oxobutanoate; propanedioate CAS Name: 3-oxobutanoate; propanedioate IUPAC Name: 3-oxobutanoate; propanedioate Traditional Name: acetoacetate; malonate Formula: C7H7O7-3 MolecularWeight: 203.12628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O3.C3H4O4/c1-3(5)2-4(6)7;4-2(5)1-3(6)7/h2H2,1H3,(H,6,7);1H2,(H,4,5)(H,6,7)/p-3