[2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenyl] 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenyl] 1-methylpyridin-1-ium-3-carboxylate Openeye Name: [5-chloro-2-(2,4-dichlorophenoxy)phenyl] 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [5-chloro-2-(2,4-dichlorophenoxy)phenyl] ester IUPAC Name: [5-chloro-2-(2,4-dichlorophenoxy)phenyl] 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [5-chloro-2-(2,4-dichlorophenoxy)phenyl] ester Formula: C19H13Cl3NO3+ MolecularWeight: 409.67042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OC2=C(C=CC(=C2)Cl)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OC2=C(C=CC(=C2)Cl)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H13Cl3NO3/c1-23-8-2-3-12(11-23)19(24)26-18-10-14(21)5-7-17(18)25-16-6-4-13(20)9-15(16)22/h2-11H,1H3/q+1