2-[(6-fluoranyl-1,2,3-benzothiadiazol-7-yl)-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(6-fluoranyl-1,2,3-benzothiadiazol-7-yl)-oxidanyl-methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(6-fluoro-1,2,3-benzothiadiazol-7-yl)-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(6-fluoro-1,2,3-benzothiadiazol-7-yl)-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(6-fluoro-1,2,3-benzothiadiazol-7-yl)-hydroxymethylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(6-fluoro-1,2,3-benzothiadiazol-7-yl)-hydroxy-methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C15H13FN2O3S MolecularWeight: 320.338723

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(C2=C(C=CC3=C2SN=N3)F)O)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=C(C2=C(C=CC3=C2SN=N3)F)O)C(=O)C1)C

InChI

InChI=1S/C15H13FN2O3S/c1-15(2)5-9(19)12(10(20)6-15)13(21)11-7(16)3-4-8-14(11)22-18-17-8/h3-4,21H,5-6H2,1-2H3