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

Systemtic Name: 6-chloranyl-7-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid Openeye Name: 6-chloro-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid CAS Name: 6-chloro-7-[(1-oxido-2-pyridin-1-iumyl)thio]-2-(trifluoromethyl)-2H-1-benzothiopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid Traditional Name: 6-chloro-7-[(1-oxidopyridin-1-ium-2-yl)thio]-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid Formula: C16H9ClF3NO3S2 MolecularWeight: 419.82577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SC2=C(C=C3C=C(C(SC3=C2)C(F)(F)F)C(=O)O)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SC2=C(C=C3C=C(C(SC3=C2)C(F)(F)F)C(=O)O)Cl)[O-]

InChI

InChI=1S/C16H9ClF3NO3S2/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/h1-7,14H,(H,22,23)