4,4-dimethyl-2-[2-methylsulfinyl-4-(trifluoromethyl)phenyl]carbonyl-cyclohexane-1,3-dione

Systemtic Name: 4,4-dimethyl-2-[2-methylsulfinyl-4-(trifluoromethyl)phenyl]carbonyl-cyclohexane-1,3-dione Openeye Name: 4,4-dimethyl-2-[2-methylsulfinyl-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione CAS Name: 4,4-dimethyl-2-[[2-methylsulfinyl-4-(trifluoromethyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 4,4-dimethyl-2-[2-methylsulfinyl-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 4,4-dimethyl-2-[2-methylsulfinyl-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-quinone Formula: C17H17F3O4S MolecularWeight: 374.37469

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)C)C

Isomeric SMILES

CC1(CCC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)C)C

InChI

InChI=1S/C17H17F3O4S/c1-16(2)7-6-11(21)13(15(16)23)14(22)10-5-4-9(17(18,19)20)8-12(10)25(3)24/h4-5,8,13H,6-7H2,1-3H3