sodium 6-[2-[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[2-[5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-bromo-2-(4-chlorobenzyl)oxy-phenyl]phenyl]picolinate Formula: C25H16BrClNNaO3 MolecularWeight: 516.74621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=CC=C2)C(=O)[O-])C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Cl.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=CC=C2)C(=O)[O-])C3=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)Cl.[Na+]

InChI

InChI=1S/C25H17BrClNO3.Na/c26-17-10-13-24(31-15-16-8-11-18(27)12-9-16)21(14-17)19-4-1-2-5-20(19)22-6-3-7-23(28-22)25(29)30;/h1-14H,15H2,(H,29,30);/q;+1/p-1