sodium 6-[2-[5-bromanyl-2-(oxolan-3-ylmethoxy)phenyl]phenyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[2-[5-bromanyl-2-(oxolan-3-ylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-bromo-2-(tetrahydrofuran-3-ylmethoxy)phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-bromo-2-(3-oxolanylmethoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-bromo-2-(tetrahydrofuran-3-ylmethoxy)phenyl]phenyl]picolinate Formula: C23H19BrNNaO4 MolecularWeight: 476.29503

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1COC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

Isomeric SMILES

C1COCC1COC2=C(C=C(C=C2)Br)C3=CC=CC=C3C4=NC(=CC=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H20BrNO4.Na/c24-16-8-9-22(29-14-15-10-11-28-13-15)19(12-16)17-4-1-2-5-18(17)20-6-3-7-21(25-20)23(26)27;/h1-9,12,15H,10-11,13-14H2,(H,26,27);/q;+1/p-1