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

Systemtic Name: sodium 6-[2-[5-bromanyl-2-(3-phenylprop-2-ynoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-bromo-2-(3-phenylprop-2-ynoxy)phenyl]phenyl]picolinate Formula: C27H17BrNNaO3 MolecularWeight: 506.32255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCOC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C#CCOC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C27H18BrNO3.Na/c28-20-15-16-26(32-17-7-10-19-8-2-1-3-9-19)23(18-20)21-11-4-5-12-22(21)24-13-6-14-25(29-24)27(30)31;/h1-6,8-9,11-16,18H,17H2,(H,30,31);/q;+1/p-1