3-oxidanylidenebutanoate; pentane-2,4-dione

Systemtic Name: 3-oxidanylidenebutanoate; pentane-2,4-dione Openeye Name: 3-oxobutanoate; pentane-2,4-dione CAS Name: 3-oxobutanoate; pentane-2,4-dione IUPAC Name: 3-oxobutanoate; pentane-2,4-dione Traditional Name: acetoacetate; pentane-2,4-dione Formula: C9H13O5- MolecularWeight: 201.19652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8O2.C4H6O3/c1-4(6)3-5(2)7;1-3(5)2-4(6)7/h3H2,1-2H3;2H2,1H3,(H,6,7)/p-1