5-[2-chloranyl-4-[[4-phenyl-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1-oxidanidyl-pyridin-1-ium-2-carboxylic acid

Systemtic Name: 5-[2-chloranyl-4-[[4-phenyl-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1-oxidanidyl-pyridin-1-ium-2-carboxylic acid Openeye Name: 5-[2-chloro-4-[[4-phenyl-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1-oxido-pyridin-1-ium-2-carboxylic acid CAS Name: 5-[2-chloro-4-[[4-phenyl-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1-oxido-2-pyridin-1-iumcarboxylic acid IUPAC Name: 5-[2-chloro-4-[[4-phenyl-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1-oxidopyridin-1-ium-2-carboxylic acid Traditional Name: 5-[2-chloro-4-[[4-phenyl-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1-oxido-pyridin-1-ium-2-carboxylic acid Formula: C26H17ClF3NO4 MolecularWeight: 499.86569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3=CC(=C(C=C3)C4=C[N+](=C(C=C4)C(=O)O)[O-])Cl)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)OCC3=CC(=C(C=C3)C4=C[N+](=C(C=C4)C(=O)O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C26H17ClF3NO4/c27-23-12-16(6-9-21(23)18-7-11-24(25(32)33)31(34)14-18)15-35-19-8-10-20(17-4-2-1-3-5-17)22(13-19)26(28,29)30/h1-14H,15H2,(H,32,33)