3-[bis(oxidanyl)methylidene]-2-(2,2-dimethylpropyl)-6,7-dimethoxy-isoquinoline-1,4-dione

Systemtic Name: 3-[bis(oxidanyl)methylidene]-2-(2,2-dimethylpropyl)-6,7-dimethoxy-isoquinoline-1,4-dione Openeye Name: 3-(dihydroxymethylene)-2-(2,2-dimethylpropyl)-6,7-dimethoxy-isoquinoline-1,4-dione CAS Name: 3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinoline-1,4-dione IUPAC Name: 3-(dihydroxymethylidene)-2-(2,2-dimethylpropyl)-6,7-dimethoxyisoquinoline-1,4-dione Traditional Name: 3-(dihydroxymethylene)-6,7-dimethoxy-2-neopentyl-isoquinoline-1,4-quinone Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C(=C(O)O)C(=O)C2=CC(=C(C=C2C1=O)OC)OC

Isomeric SMILES

CC(C)(C)CN1C(=C(O)O)C(=O)C2=CC(=C(C=C2C1=O)OC)OC

InChI

InChI=1S/C17H21NO6/c1-17(2,3)8-18-13(16(21)22)14(19)9-6-11(23-4)12(24-5)7-10(9)15(18)20/h6-7,21-22H,8H2,1-5H3