7-methyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid

Systemtic Name: 7-methyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid Openeye Name: 7-methyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid CAS Name: 7-methyl-2-(trifluoromethyl)-2H-1-benzothiopyran-3-carboxylic acid IUPAC Name: 7-methyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid Traditional Name: 7-methyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid Formula: C12H9F3O2S MolecularWeight: 274.25887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(S2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(S2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H9F3O2S/c1-6-2-3-7-5-8(11(16)17)10(12(13,14)15)18-9(7)4-6/h2-5,10H,1H3,(H,16,17)