8-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid

Systemtic Name: 8-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid Openeye Name: 8-methyl-2-(trifluoromethyl)thiochromane-3-carboxylic acid CAS Name: 8-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzothiopyran-3-carboxylic acid IUPAC Name: 8-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid Traditional Name: 8-methyl-2-(trifluoromethyl)thiochroman-3-carboxylic acid Formula: C12H11F3O2S MolecularWeight: 276.27475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC(C(C2)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1SC(C(C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H11F3O2S/c1-6-3-2-4-7-5-8(11(16)17)10(12(13,14)15)18-9(6)7/h2-4,8,10H,5H2,1H3,(H,16,17)