5,5-dimethyl-2-[[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[hydroxy-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[hydroxy-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[hydroxy-[4-methyl-2-(trifluoromethyl)-1,3-benzothiazol-5-yl]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C18H16F3NO3S MolecularWeight: 383.38475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C(F)(F)F)C(=C3C(=O)CC(CC3=O)(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C(F)(F)F)C(=C3C(=O)CC(CC3=O)(C)C)O

InChI

InChI=1S/C18H16F3NO3S/c1-8-9(4-5-12-14(8)22-16(26-12)18(19,20)21)15(25)13-10(23)6-17(2,3)7-11(13)24/h4-5,25H,6-7H2,1-3H3