sodium 5-[[5-chloranyl-2-[[2,4,6-tris(fluoranyl)phenyl]methoxy]phenyl]methyl]pyridine-3-carboxylate

Systemtic Name: sodium 5-[[5-chloranyl-2-[[2,4,6-tris(fluoranyl)phenyl]methoxy]phenyl]methyl]pyridine-3-carboxylate Openeye Name: sodium 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate CAS Name: sodium 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]-3-pyridinecarboxylate IUPAC Name: sodium 5-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]pyridine-3-carboxylate Traditional Name: sodium 5-[5-chloro-2-(2,4,6-trifluorobenzyl)oxy-benzyl]nicotinate Formula: C20H12ClF3NNaO3 MolecularWeight: 429.75216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CC2=CN=CC(=C2)C(=O)[O-])OCC3=C(C=C(C=C3F)F)F.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1Cl)CC2=CN=CC(=C2)C(=O)[O-])OCC3=C(C=C(C=C3F)F)F.[Na+]

InChI

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