5,5-dimethyl-3-[[1-oxidanidyl-4-(trifluoromethyl)pyridin-1-ium-3-yl]methylsulfonyl]-4H-1,2-oxazole

Systemtic Name: 5,5-dimethyl-3-[[1-oxidanidyl-4-(trifluoromethyl)pyridin-1-ium-3-yl]methylsulfonyl]-4H-1,2-oxazole Openeye Name: 5,5-dimethyl-3-[[1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]methylsulfonyl]-4H-isoxazole CAS Name: 5,5-dimethyl-3-[[1-oxido-4-(trifluoromethyl)-3-pyridin-1-iumyl]methylsulfonyl]-4H-isoxazole IUPAC Name: 5,5-dimethyl-3-[[1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]methylsulfonyl]-4H-1,2-oxazole Traditional Name: 5,5-dimethyl-3-[[1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]methylsulfonyl]-2-isoxazoline Formula: C12H13F3N2O4S MolecularWeight: 338.30283

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)S(=O)(=O)CC2=C(C=C[N+](=C2)[O-])C(F)(F)F)C

Isomeric SMILES

CC1(CC(=NO1)S(=O)(=O)CC2=C(C=C[N+](=C2)[O-])C(F)(F)F)C

InChI

InChI=1S/C12H13F3N2O4S/c1-11(2)5-10(16-21-11)22(19,20)7-8-6-17(18)4-3-9(8)12(13,14)15/h3-4,6H,5,7H2,1-2H3