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calcium 2-oxidanylidene-3-phenyl-propanoate

calcium 2-oxidanylidene-3-phenyl-propanoate

Systemtic Name:calcium 2-oxidanylidene-3-phenyl-propanoate
Openeye Name:calcium 2-oxo-3-phenyl-propanoate
CAS Name:calcium 2-oxo-3-phenylpropanoate
IUPAC Name:calcium 2-oxo-3-phenylpropanoate
Traditional Name:calcium 2-keto-3-phenyl-propionate
Formula: C18H14CaO6
MolecularWeight: 366.37816
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2]


Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2]


InChI

InChI=1S/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2


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