3-oxidanylidenebutanoate; propane

Systemtic Name: 3-oxidanylidenebutanoate; propane Openeye Name: 3-oxobutanoate; propane CAS Name: 3-oxobutanoate; propane IUPAC Name: 3-oxobutanoate; propane Traditional Name: acetoacetate; n-propane Formula: C15H23O9-3 MolecularWeight: 347.33772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C4H6O3.C3H8/c3*1-3(5)2-4(6)7;1-3-2/h3*2H2,1H3,(H,6,7);3H2,1-2H3/p-3