calcium levulinate
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IUPAC Name :calcium;4-oxopentanoate;dihydrate
InChI :InChI=1/2C5H8O3.Ca.2H2O/c2*1-4(6)2-3-5(7)8;;;/h2*2-3H2,1H3,(H,7,8);;2*1H2/q;;+2;;/p-2
Std.InChI: InChI=1S/2C5H8O3.Ca.2H2O/c2*1-4(6)2-3-5(7)8;;;/h2*2-3H2,1H3,(H,7,8);;2*1H2/q;;+2;;/p-2
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InChIKey :WQFDRFDIWAMOPA-NUQVWONBAD
Std.InChIKey: WQFDRFDIWAMOPA-UHFFFAOYSA-L
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SMILES :[Ca+2].O=C([O-])CCC(=O)C.[O-]C(=O)CCC(=O)C.O.O