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

Systemtic Name: sodium 6-[2-[5-bromanyl-2-(2-ethylbutoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-bromo-2-(2-ethylbutoxy)phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-(2-ethylbutoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-(2-ethylbutoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-bromo-2-(2-ethylbutoxy)phenyl]phenyl]picolinate Formula: C24H23BrNNaO3 MolecularWeight: 476.33809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrNO3.Na/c1-3-16(4-2)15-29-23-13-12-17(25)14-20(23)18-8-5-6-9-19(18)21-10-7-11-22(26-21)24(27)28;/h5-14,16H,3-4,15H2,1-2H3,(H,27,28);/q;+1/p-1