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calcium 2-phenylethanoate

calcium 2-phenylethanoate

Systemtic Name:calcium 2-phenylethanoate
Openeye Name:calcium 2-phenylacetate
CAS Name:calcium 2-phenylacetate
IUPAC Name:calcium 2-phenylacetate
Traditional Name:calcium 2-phenylacetate
Formula: C16H14CaO4
MolecularWeight: 310.35796
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C8H8O2.Ca/c2*9-8(10)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,9,10);/q;;+2/p-2


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