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calcium 3-phenylpropanoate

calcium 3-phenylpropanoate

Systemtic Name:calcium 3-phenylpropanoate
Openeye Name:calcium 3-phenylpropanoate
CAS Name:calcium 3-phenylpropanoate
IUPAC Name:calcium 3-phenylpropanoate
Traditional Name:calcium 3-phenylpropionate
Formula: C18H18CaO4
MolecularWeight: 338.41112
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C9H10O2.Ca/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-5H,6-7H2,(H,10,11);/q;;+2/p-2


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