sodium 6-[2-[5-chloranyl-2-(3-methylbut-2-enoxy)phenyl]phenyl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[2-[5-chloranyl-2-(3-methylbut-2-enoxy)phenyl]phenyl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-[5-chloro-2-(3-methylbut-2-enoxy)phenyl]phenyl]pyridine-2-carboxylate CAS Name: sodium 6-[2-[5-chloro-2-(3-methylbut-2-enoxy)phenyl]phenyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-[5-chloro-2-(3-methylbut-2-enoxy)phenyl]phenyl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-[5-chloro-2-(3-methylbut-2-enoxy)phenyl]phenyl]picolinate Formula: C23H19ClNNaO3 MolecularWeight: 415.84463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClNO3.Na/c1-15(2)12-13-28-22-11-10-16(24)14-19(22)17-6-3-4-7-18(17)20-8-5-9-21(25-20)23(26)27;/h3-12,14H,13H2,1-2H3,(H,26,27);/q;+1/p-1