sodium 6-[2-chloranyl-5-(5-chloranyl-2-phenylmethoxy-phenyl)pyrrol-1-yl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[2-chloranyl-5-(5-chloranyl-2-phenylmethoxy-phenyl)pyrrol-1-yl]pyridine-2-carboxylate Openeye Name: sodium 6-[2-(2-benzyloxy-5-chloro-phenyl)-5-chloro-pyrrol-1-yl]pyridine-2-carboxylate CAS Name: sodium 6-[2-chloro-5-(5-chloro-2-phenylmethoxyphenyl)-1-pyrrolyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[2-chloro-5-(5-chloro-2-phenylmethoxyphenyl)pyrrol-1-yl]pyridine-2-carboxylate Traditional Name: sodium 6-[2-(2-benzoxy-5-chloro-phenyl)-5-chloro-pyrrol-1-yl]picolinate Formula: C23H15Cl2N2NaO3 MolecularWeight: 461.27257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=CC=C(N3C4=CC=CC(=N4)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=CC=C(N3C4=CC=CC(=N4)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C23H16Cl2N2O3.Na/c24-16-9-11-20(30-14-15-5-2-1-3-6-15)17(13-16)19-10-12-21(25)27(19)22-8-4-7-18(26-22)23(28)29;/h1-13H,14H2,(H,28,29);/q;+1/p-1