6-chloranyl-7-(3-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(3-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(3-chloro-1-oxido-pyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-7-[(3-chloro-1-oxido-2-pyridin-1-iumyl)thio]-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(3-chloro-1-oxidopyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-[(3-chloro-1-oxido-pyridin-1-ium-2-yl)thio]-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C16H10Cl2F3NO4S MolecularWeight: 440.22111

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=C(C=C21)Cl)SC3=C(C=CC=[N+]3[O-])Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(OC2=CC(=C(C=C21)Cl)SC3=C(C=CC=[N+]3[O-])Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H10Cl2F3NO4S/c17-9-2-1-3-22(25)14(9)27-12-6-11-7(5-10(12)18)4-8(15(23)24)13(26-11)16(19,20)21/h1-3,5-6,8,13H,4H2,(H,23,24)