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calcium 4-methylidene-5-oxidanylidene-hexanoate

calcium 4-methylidene-5-oxidanylidene-hexanoate

Systemtic Name:calcium 4-methylidene-5-oxidanylidene-hexanoate
Openeye Name:calcium 4-methylene-5-oxo-hexanoate
CAS Name:calcium 4-methylene-5-oxohexanoate
IUPAC Name:calcium 4-methylidene-5-oxohexanoate
Traditional Name:calcium 4-acetylpent-4-enoate
Formula: C14H18CaO6
MolecularWeight: 322.36712
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C7H10O3.Ca/c2*1-5(6(2)8)3-4-7(9)10;/h2*1,3-4H2,2H3,(H,9,10);/q;;+2/p-2


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