5,5-dimethyl-2-(trifluoromethylsulfanyl)cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-(trifluoromethylsulfanyl)cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-(trifluoromethylsulfanyl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-(trifluoromethylthio)cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-(trifluoromethylsulfanyl)cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-(trifluoromethylthio)cyclohexane-1,3-quinone Formula: C9H11F3O2S MolecularWeight: 240.24265

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)SC(F)(F)F)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)SC(F)(F)F)C

InChI

InChI=1S/C9H11F3O2S/c1-8(2)3-5(13)7(6(14)4-8)15-9(10,11)12/h7H,3-4H2,1-2H3