4,4,6,6-tetramethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-5-oxidanyl-cyclohexane-1,3-dione

Systemtic Name: 4,4,6,6-tetramethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-5-oxidanyl-cyclohexane-1,3-dione Openeye Name: 5-hydroxy-4,4,6,6-tetramethyl-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione CAS Name: 5-hydroxy-4,4,6,6-tetramethyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 5-hydroxy-4,4,6,6-tetramethyl-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 5-hydroxy-4,4,6,6-tetramethyl-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-quinone Formula: C18H18F3NO6 MolecularWeight: 401.33383

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])(C)C)O)C

Isomeric SMILES

CC1(C(C(C(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])(C)C)O)C

InChI

InChI=1S/C18H18F3NO6/c1-16(2)13(24)11(14(25)17(3,4)15(16)26)12(23)9-6-5-8(18(19,20)21)7-10(9)22(27)28/h5-7,11,15,26H,1-4H3