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calcium 4-methyl-2-oxidanylidene-pentanoate dihydrate

calcium 4-methyl-2-oxidanylidene-pentanoate dihydrate

Systemtic Name:calcium 4-methyl-2-oxidanylidene-pentanoate dihydrate
Openeye Name:calcium 4-methyl-2-oxo-pentanoate dihydrate
CAS Name:calcium 4-methyl-2-oxopentanoate dihydrate
IUPAC Name:calcium 4-methyl-2-oxopentanoate dihydrate
Traditional Name:calcium 2-keto-4-methyl-valerate dihydrate
Formula: C12H22CaO8
MolecularWeight: 334.37628
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(=O)[O-].CC(C)CC(=O)C(=O)[O-].O.O.[Ca+2]


Isomeric SMILES

CC(C)CC(=O)C(=O)[O-].CC(C)CC(=O)C(=O)[O-].O.O.[Ca+2]


InChI

InChI=1S/2C6H10O3.Ca.2H2O/c2*1-4(2)3-5(7)6(8)9;;;/h2*4H,3H2,1-2H3,(H,8,9);;2*1H2/q;;+2;;/p-2


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