sodium 6-[2-[5-bromanyl-2-(3-methylbutoxy)phenyl]phenyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[2-[5-bromanyl-2-(3-methylbutoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-(5-bromo-2-isopentyloxy-phenyl)phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-(3-methylbutoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-(3-methylbutoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-(5-bromo-2-isoamoxy-phenyl)phenyl]picolinate Formula: C23H21BrNNaO3 MolecularWeight: 462.31151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H22BrNO3.Na/c1-15(2)12-13-28-22-11-10-16(24)14-19(22)17-6-3-4-7-18(17)20-8-5-9-21(25-20)23(26)27;/h3-11,14-15H,12-13H2,1-2H3,(H,26,27);/q;+1/p-1