6-chloranyl-7-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid Openeye Name: 6-chloro-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)thiochromane-3-carboxylic acid CAS Name: 6-chloro-7-[(1-oxido-2-pyridin-1-iumyl)thio]-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzothiopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid Traditional Name: 6-chloro-7-[(1-oxidopyridin-1-ium-2-yl)thio]-2-(trifluoromethyl)thiochroman-3-carboxylic acid Formula: C16H11ClF3NO3S2 MolecularWeight: 421.84165

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC2=CC(=C(C=C21)Cl)SC3=CC=CC=[N+]3[O-])C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(SC2=CC(=C(C=C21)Cl)SC3=CC=CC=[N+]3[O-])C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H11ClF3NO3S2/c17-10-6-8-5-9(15(22)23)14(16(18,19)20)26-11(8)7-12(10)25-13-3-1-2-4-21(13)24/h1-4,6-7,9,14H,5H2,(H,22,23)