6-[bis(fluoranyl)methyl]-5-tert-butylsulfonyl-4-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 6-[bis(fluoranyl)methyl]-5-tert-butylsulfonyl-4-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 5-tert-butylsulfonyl-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 5-tert-butylsulfonyl-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 5-tert-butylsulfonyl-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 5-tert-butylsulfonyl-6-(difluoromethyl)-4-methyl-2-(trifluoromethyl)nicotinic acid Formula: C13H14F5NO4S MolecularWeight: 375.311576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1S(=O)(=O)C(C)(C)C)C(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=C1S(=O)(=O)C(C)(C)C)C(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H14F5NO4S/c1-5-6(11(20)21)9(13(16,17)18)19-7(10(14)15)8(5)24(22,23)12(2,3)4/h10H,1-4H3,(H,20,21)