sodium 6-[2-[5-chloranyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[2-[5-chloranyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]phenyl]picolinate Formula: C20H12ClF3NNaO3 MolecularWeight: 429.75216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=CC=C2)C(=O)[O-])C3=C(C=CC(=C3)Cl)OCC(F)(F)F.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=CC=C2)C(=O)[O-])C3=C(C=CC(=C3)Cl)OCC(F)(F)F.[Na+]

InChI

InChI=1S/C20H13ClF3NO3.Na/c21-12-8-9-18(28-11-20(22,23)24)15(10-12)13-4-1-2-5-14(13)16-6-3-7-17(25-16)19(26)27;/h1-10H,11H2,(H,26,27);/q;+1/p-1