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

Systemtic Name: sodium 6-[2-(5-bromanyl-2-propoxy-phenyl)phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-(5-bromo-2-propoxy-phenyl)phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-(5-bromo-2-propoxyphenyl)phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-(5-bromo-2-propoxyphenyl)phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-(5-bromo-2-propoxy-phenyl)phenyl]picolinate Formula: C21H17BrNNaO3 MolecularWeight: 434.25835

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C2=CC=CC=C2C3=NC(=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H18BrNO3.Na/c1-2-12-26-20-11-10-14(22)13-17(20)15-6-3-4-7-16(15)18-8-5-9-19(23-18)21(24)25;/h3-11,13H,2,12H2,1H3,(H,24,25);/q;+1/p-1