6-chloranyl-7-(3-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(3-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid Openeye Name: 6-chloro-7-(3-chloro-1-oxido-pyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid CAS Name: 6-chloro-7-[(3-chloro-1-oxido-2-pyridin-1-iumyl)thio]-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid IUPAC Name: 6-chloro-7-(3-chloro-1-oxidopyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid Traditional Name: 6-chloro-7-[(3-chloro-1-oxido-pyridin-1-ium-2-yl)thio]-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid Formula: C16H9Cl2F3N2O3S MolecularWeight: 437.22047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([N+](=C1)[O-])SC2=C(C=C3C=C(C(NC3=C2)C(F)(F)F)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C([N+](=C1)[O-])SC2=C(C=C3C=C(C(NC3=C2)C(F)(F)F)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H9Cl2F3N2O3S/c17-9-2-1-3-23(26)14(9)27-12-6-11-7(5-10(12)18)4-8(15(24)25)13(22-11)16(19,20)21/h1-6,13,22H,(H,24,25)