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calcium 2-(3-phenoxyphenyl)propanoate hydrate

calcium 2-(3-phenoxyphenyl)propanoate hydrate

Systemtic Name:calcium 2-(3-phenoxyphenyl)propanoate hydrate
Openeye Name:calcium 2-(3-phenoxyphenyl)propanoate hydrate
CAS Name:calcium 2-(3-phenoxyphenyl)propanoate hydrate
IUPAC Name:calcium 2-(3-phenoxyphenyl)propanoate hydrate
Traditional Name:calcium 2-(3-phenoxyphenyl)propionate hydrate
Formula: C15H15CaO4+
MolecularWeight: 299.3552
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.[Ca+2]


Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)[O-].O.[Ca+2]


InChI

InChI=1S/C15H14O3.Ca.H2O/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;;/h2-11H,1H3,(H,16,17);;1H2/q;+2;/p-1


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