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

Systemtic Name: sodium 6-[2-(5-bromanyl-2-pent-2-ynoxy-phenyl)phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-(5-bromo-2-pent-2-ynoxy-phenyl)phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-(5-bromo-2-pent-2-ynoxyphenyl)phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-(5-bromo-2-pent-2-ynoxyphenyl)phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-(5-bromo-2-pent-2-ynoxy-phenyl)phenyl]picolinate Formula: C23H17BrNNaO3 MolecularWeight: 458.27975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrNO3.Na/c1-2-3-6-14-28-22-13-12-16(24)15-19(22)17-8-4-5-9-18(17)20-10-7-11-21(25-20)23(26)27;/h4-5,7-13,15H,2,14H2,1H3,(H,26,27);/q;+1/p-1