6-tert-butyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid Openeye Name: 6-tert-butyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid CAS Name: 6-tert-butyl-2-(trifluoromethyl)-2H-1-benzothiopyran-3-carboxylic acid IUPAC Name: 6-tert-butyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid Traditional Name: 6-tert-butyl-2-(trifluoromethyl)-2H-thiochromene-3-carboxylic acid Formula: C15H15F3O2S MolecularWeight: 316.33861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)SC(C(=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)SC(C(=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H15F3O2S/c1-14(2,3)9-4-5-11-8(6-9)7-10(13(19)20)12(21-11)15(16,17)18/h4-7,12H,1-3H3,(H,19,20)