1-[4-tert-butyl-1-(trifluoromethylsulfonyl)-2H-pyridin-2-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[4-tert-butyl-1-(trifluoromethylsulfonyl)-2H-pyridin-2-yl]cyclohexane-1-carboxylic acid Openeye Name: 1-[4-tert-butyl-1-(trifluoromethylsulfonyl)-2H-pyridin-2-yl]cyclohexanecarboxylic acid CAS Name: 1-[4-tert-butyl-1-(trifluoromethylsulfonyl)-2H-pyridin-2-yl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[4-tert-butyl-1-(trifluoromethylsulfonyl)-2H-pyridin-2-yl]cyclohexane-1-carboxylic acid Traditional Name: 1-(4-tert-butyl-1-triflyl-2H-pyridin-2-yl)cyclohexanecarboxylic acid Formula: C17H24F3NO4S MolecularWeight: 395.43697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(N(C=C1)S(=O)(=O)C(F)(F)F)C2(CCCCC2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(N(C=C1)S(=O)(=O)C(F)(F)F)C2(CCCCC2)C(=O)O

InChI

InChI=1S/C17H24F3NO4S/c1-15(2,3)12-7-10-21(26(24,25)17(18,19)20)13(11-12)16(14(22)23)8-5-4-6-9-16/h7,10-11,13H,4-6,8-9H2,1-3H3,(H,22,23)