3-oxidanylbutanoate; 3-oxidanylidenebutanoate

Systemtic Name: 3-oxidanylbutanoate; 3-oxidanylidenebutanoate Openeye Name: 3-hydroxybutanoate; 3-oxobutanoate CAS Name: 3-hydroxybutanoate; 3-oxobutanoate IUPAC Name: 3-hydroxybutanoate; 3-oxobutanoate Traditional Name: acetoacetate; 3-hydroxybutyrate Formula: C12H19O9-3 MolecularWeight: 307.27386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C4H8O3.C4H6O3/c3*1-3(5)2-4(6)7/h2*3,5H,2H2,1H3,(H,6,7);2H2,1H3,(H,6,7)/p-3