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

Systemtic Name: 6-[bis(fluoranyl)methyl]-4-ethyl-5-ethylsulfinyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-(difluoromethyl)-4-ethyl-5-ethylsulfinyl-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 6-(difluoromethyl)-4-ethyl-5-ethylsulfinyl-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(difluoromethyl)-4-ethyl-5-ethylsulfinyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-(difluoromethyl)-4-ethyl-5-ethylsulfinyl-2-(trifluoromethyl)nicotinic acid Formula: C12H12F5NO3S MolecularWeight: 345.285596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F5NO3S/c1-3-5-6(11(19)20)9(12(15,16)17)18-7(10(13)14)8(5)22(21)4-2/h10H,3-4H2,1-2H3,(H,19,20)