2-(trifluoromethyl)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid

Systemtic Name: 2-(trifluoromethyl)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid Openeye Name: 2-(trifluoromethyl)-6-(trifluoromethylsulfanyl)thiochromane-3-carboxylic acid CAS Name: 2-(trifluoromethyl)-6-(trifluoromethylthio)-3,4-dihydro-2H-1-benzothiopyran-3-carboxylic acid IUPAC Name: 2-(trifluoromethyl)-6-(trifluoromethylsulfanyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid Traditional Name: 2-(trifluoromethyl)-6-(trifluoromethylthio)thiochroman-3-carboxylic acid Formula: C12H8F6O2S2 MolecularWeight: 362.311139

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC2=C1C=C(C=C2)SC(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(SC2=C1C=C(C=C2)SC(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H8F6O2S2/c13-11(14,15)9-7(10(19)20)4-5-3-6(22-12(16,17)18)1-2-8(5)21-9/h1-3,7,9H,4H2,(H,19,20)