sodium 6-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]phenyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[2-[5-bromanyl-2-(2-methylpropoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-(5-bromo-2-isobutoxy-phenyl)phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-(2-methylpropoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-(2-methylpropoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-(5-bromo-2-isobutoxy-phenyl)phenyl]picolinate Formula: C22H19BrNNaO3 MolecularWeight: 448.28493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H20BrNO3.Na/c1-14(2)13-27-21-11-10-15(23)12-18(21)16-6-3-4-7-17(16)19-8-5-9-20(24-19)22(25)26;/h3-12,14H,13H2,1-2H3,(H,25,26);/q;+1/p-1