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calcium 3-butanoyloxypropanoate

calcium 3-butanoyloxypropanoate

Systemtic Name:calcium 3-butanoyloxypropanoate
Openeye Name:calcium 3-butanoyloxypropanoate
CAS Name:calcium 3-(1-oxobutoxy)propanoate
IUPAC Name:calcium 3-butanoyloxypropanoate
Traditional Name:calcium 3-butyryloxypropionate
Formula: C7H11CaO4+
MolecularWeight: 199.23784
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCC(=O)[O-].[Ca+2]


Isomeric SMILES

CCCC(=O)OCCC(=O)[O-].[Ca+2]


InChI

InChI=1S/C7H12O4.Ca/c1-2-3-7(10)11-5-4-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+2/p-1


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