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

Systemtic Name: 6-[bis(fluoranyl)methyl]-4-ethyl-5-methylsulfonyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-(difluoromethyl)-4-ethyl-5-methylsulfonyl-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 6-(difluoromethyl)-4-ethyl-5-methylsulfonyl-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(difluoromethyl)-4-ethyl-5-methylsulfonyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-(difluoromethyl)-4-ethyl-5-mesyl-2-(trifluoromethyl)nicotinic acid Formula: C11H10F5NO4S MolecularWeight: 347.258416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1S(=O)(=O)C)C(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=NC(=C1S(=O)(=O)C)C(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C11H10F5NO4S/c1-3-4-5(10(18)19)8(11(14,15)16)17-6(9(12)13)7(4)22(2,20)21/h9H,3H2,1-2H3,(H,18,19)