diethyl propanedioate; 3-oxidanylidenebutanoate

Systemtic Name: diethyl propanedioate; 3-oxidanylidenebutanoate Openeye Name: diethyl propanedioate; 3-oxobutanoate CAS Name: 3-oxobutanoate; propanedioic acid diethyl ester IUPAC Name: diethyl propanedioate; 3-oxobutanoate Traditional Name: acetoacetate; malonic acid diethyl ester Formula: C11H17O7- MolecularWeight: 261.24848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O4.C4H6O3/c1-3-10-6(8)5-7(9)11-4-2;1-3(5)2-4(6)7/h3-5H2,1-2H3;2H2,1H3,(H,6,7)/p-1