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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F5NO3S/c1-4(2)22(21)8-5(3)6(11(19)20)9(12(15,16)17)18-7(8)10(13)14/h4,10H,1-3H3,(H,19,20)