1-(4-chloranyl-2-fluoranyl-5-oxidanyl-phenyl)-3-methyl-3-(trifluoromethyl)pyrimidin-3-ium-2,4-dione

Systemtic Name: 1-(4-chloranyl-2-fluoranyl-5-oxidanyl-phenyl)-3-methyl-3-(trifluoromethyl)pyrimidin-3-ium-2,4-dione Openeye Name: 1-(4-chloro-2-fluoro-5-hydroxy-phenyl)-3-methyl-3-(trifluoromethyl)pyrimidin-3-ium-2,4-dione CAS Name: 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-3-methyl-3-(trifluoromethyl)pyrimidin-3-ium-2,4-dione IUPAC Name: 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-3-methyl-3-(trifluoromethyl)pyrimidin-3-ium-2,4-dione Traditional Name: 1-(4-chloro-2-fluoro-5-hydroxy-phenyl)-3-methyl-3-(trifluoromethyl)pyrimidin-3-ium-2,4-quinone Formula: C12H8ClF4N2O3+ MolecularWeight: 339.650133

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)C=CN(C1=O)C2=CC(=C(C=C2F)Cl)O)C(F)(F)F

Isomeric SMILES

C[N+]1(C(=O)C=CN(C1=O)C2=CC(=C(C=C2F)Cl)O)C(F)(F)F

InChI

InChI=1S/C12H7ClF4N2O3/c1-19(12(15,16)17)10(21)2-3-18(11(19)22)8-5-9(20)6(13)4-7(8)14/h2-5H,1H3/p+1