3-oxidanylidenebutanoate; propane-1,2,3-triol

Systemtic Name: 3-oxidanylidenebutanoate; propane-1,2,3-triol Openeye Name: glycerol; 3-oxobutanoate CAS Name: 3-oxobutanoate; propane-1,2,3-triol IUPAC Name: 3-oxobutanoate; propane-1,2,3-triol Traditional Name: acetoacetate; glycerol Formula: C7H13O6- MolecularWeight: 193.17452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O3.C3H8O3/c1-3(5)2-4(6)7;4-1-3(6)2-5/h2H2,1H3,(H,6,7);3-6H,1-2H2/p-1