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calcium 5-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylate

calcium 5-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylate

Systemtic Name:calcium 5-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylate
Openeye Name:calcium 5-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylate
CAS Name:calcium 5-[2-(trifluoromethyl)phenoxy]-2-pyridinecarboxylate
IUPAC Name:calcium 5-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylate
Traditional Name:calcium 5-[2-(trifluoromethyl)phenoxy]picolinate
Formula: C26H14CaF6N2O6
MolecularWeight: 604.467579
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C13H8F3NO3.Ca/c2*14-13(15,16)9-3-1-2-4-11(9)20-8-5-6-10(12(18)19)17-7-8;/h2*1-7H,(H,18,19);/q;;+2/p-2


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