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

Systemtic Name: sodium 6-[2-(5-bromanyl-2-but-2-ynoxy-phenyl)phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-(5-bromo-2-but-2-ynoxy-phenyl)phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-(5-bromo-2-but-2-ynoxyphenyl)phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-(5-bromo-2-but-2-ynoxyphenyl)phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-(5-bromo-2-but-2-ynoxy-phenyl)phenyl]picolinate Formula: C22H15BrNNaO3 MolecularWeight: 444.25317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrNO3.Na/c1-2-3-13-27-21-12-11-15(23)14-18(21)16-7-4-5-8-17(16)19-9-6-10-20(24-19)22(25)26;/h4-12,14H,13H2,1H3,(H,25,26);/q;+1/p-1