2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C13H9ClF3NO3 MolecularWeight: 319.66367

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(C2=C(C=C(C=N2)C(F)(F)F)Cl)O)C(=O)C1

Isomeric SMILES

C1CC(=O)C(=C(C2=C(C=C(C=N2)C(F)(F)F)Cl)O)C(=O)C1

InChI

InChI=1S/C13H9ClF3NO3/c14-7-4-6(13(15,16)17)5-18-11(7)12(21)10-8(19)2-1-3-9(10)20/h4-5,21H,1-3H2