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calcium 4-oxidanylidenepentanoate dihydrate

calcium 4-oxidanylidenepentanoate dihydrate

Systemtic Name:calcium 4-oxidanylidenepentanoate dihydrate
Openeye Name:calcium 4-oxopentanoate dihydrate
CAS Name:calcium 4-oxopentanoate dihydrate
IUPAC Name:calcium 4-oxopentanoate dihydrate
Traditional Name:calcium 4-ketovalerate dihydrate
Formula: C10H18CaO8
MolecularWeight: 306.32312
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


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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