Chem
J-GLOBAL ID：200907023152598696   Nikkaji number：J713.087B

2-[2-Nitro-4-(trifluoromethyl)benzoyl]-4,4,6,6-tetramethylcyclohexane-1,3,5-trione

2-[2-ニトロ-4-(トリフルオロメチル)ベンゾイル]-4,4,6,6-テトラメチルシクロヘキサン-1,3,5-トリオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H16F3[N+]O5[O-]
Molecular formula furigana： C18-H16-F3-N-O6
Molecular weight： 399.322
InChI： InChI=1S/C18H16F3NO6/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/h5-7,11H,1-4H3
InChI key： KZJJJGWMJAZHQS-UHFFFAOYSA-N
SMILES： CC1(C)C(=O)C(C(=O)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)C(=O)C(C)(C)C1=O
Systematic name  (3)：
  • 2-[2-ニトロ-4-(トリフルオロメチル)ベンゾイル]-4,4,6,6-テトラメチルシクロヘキサン-1,3,5-トリオン
  • 2,2,4,4-テトラメチル-6-[2-ニトロ-4-(トリフルオロメチル)ベンゾイル]シクロヘキサン-1,3,5-トリオン
  • 2,2,4,4-tetramethyl-6-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3,5-trione
Other name (1)：
  • 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-4,4,6,6-tetramethylcyclohexane-1,3,5-trione
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