3-[bis(oxidanyl)methylidene]-2-tert-butyl-2-(2,2-dimethylpropyl)-6-fluoranyl-isoquinolin-2-ium-1,4-dione

Systemtic Name: 3-[bis(oxidanyl)methylidene]-2-tert-butyl-2-(2,2-dimethylpropyl)-6-fluoranyl-isoquinolin-2-ium-1,4-dione Openeye Name: 2-tert-butyl-3-(dihydroxymethylene)-2-(2,2-dimethylpropyl)-6-fluoro-isoquinolin-2-ium-1,4-dione CAS Name: 2-tert-butyl-3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)-6-fluoroisoquinolin-2-ium-1,4-dione IUPAC Name: 2-tert-butyl-3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)-6-fluoroisoquinolin-2-ium-1,4-dione Traditional Name: 2-tert-butyl-3-(dihydroxymethylene)-6-fluoro-2-neopentyl-isoquinolin-2-ium-1,4-quinone Formula: C19H25FNO4+ MolecularWeight: 350.404503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[N+]1(C(=C(O)O)C(=O)C2=C(C1=O)C=CC(=C2)F)C(C)(C)C

Isomeric SMILES

CC(C)(C)C[N+]1(C(=C(O)O)C(=O)C2=C(C1=O)C=CC(=C2)F)C(C)(C)C

InChI

InChI=1S/C19H24FNO4/c1-18(2,3)10-21(19(4,5)6)14(17(24)25)15(22)13-9-11(20)7-8-12(13)16(21)23/h7-9H,10H2,1-6H3,(H-,22,24,25)/p+1