6-chloranyl-7-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid Openeye Name: 6-chloro-7-methyl-2-(trifluoromethyl)thiochromane-3-carboxylic acid CAS Name: 6-chloro-7-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzothiopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-methyl-2-(trifluoromethyl)-3,4-dihydro-2H-thiochromene-3-carboxylic acid Traditional Name: 6-chloro-7-methyl-2-(trifluoromethyl)thiochroman-3-carboxylic acid Formula: C12H10ClF3O2S MolecularWeight: 310.71981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CC(C(SC2=C1)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C2CC(C(SC2=C1)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C12H10ClF3O2S/c1-5-2-9-6(4-8(5)13)3-7(11(17)18)10(19-9)12(14,15)16/h2,4,7,10H,3H2,1H3,(H,17,18)