calcium 4-methyl-2-oxidanylidene-pentanoate hydrate

Systemtic Name: calcium 4-methyl-2-oxidanylidene-pentanoate hydrate Openeye Name: calcium 4-methyl-2-oxo-pentanoate hydrate CAS Name: calcium 4-methyl-2-oxopentanoate hydrate IUPAC Name: calcium 4-methyl-2-oxopentanoate hydrate Traditional Name: calcium 2-keto-4-methyl-valerate hydrate Formula: C12H20CaO7 MolecularWeight: 316.361

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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.[Ca+2]

Isomeric SMILES

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

InChI

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