2-(trifluoromethyl)-6-(trifluoromethylsulfanyl)-2H-thiochromene-3-carboxylic acid

Systemtic Name: 2-(trifluoromethyl)-6-(trifluoromethylsulfanyl)-2H-thiochromene-3-carboxylic acid Openeye Name: 2-(trifluoromethyl)-6-(trifluoromethylsulfanyl)-2H-thiochromene-3-carboxylic acid CAS Name: 2-(trifluoromethyl)-6-(trifluoromethylthio)-2H-1-benzothiopyran-3-carboxylic acid IUPAC Name: 2-(trifluoromethyl)-6-(trifluoromethylsulfanyl)-2H-thiochromene-3-carboxylic acid Traditional Name: 2-(trifluoromethyl)-6-(trifluoromethylthio)-2H-thiochromene-3-carboxylic acid Formula: C12H6F6O2S2 MolecularWeight: 360.295259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SC(F)(F)F)C=C(C(S2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1SC(F)(F)F)C=C(C(S2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H6F6O2S2/c13-11(14,15)9-7(10(19)20)4-5-3-6(22-12(16,17)18)1-2-8(5)21-9/h1-4,9H,(H,19,20)