(3E)-3-[oxidanyl(phenethyloxy)methylidene]-2H-isoquinoline-7,8-dione; sulfuric acid

Systemtic Name: (3E)-3-[oxidanyl(phenethyloxy)methylidene]-2H-isoquinoline-7,8-dione; sulfuric acid Openeye Name: (3E)-3-[hydroxy(phenethyloxy)methylene]-2H-isoquinoline-7,8-dione; sulfuric acid CAS Name: (3E)-3-[hydroxy(phenethyloxy)methylidene]-2H-isoquinoline-7,8-dione; sulfuric acid IUPAC Name: (3E)-3-[hydroxy(phenethyloxy)methylidene]-2H-isoquinoline-7,8-dione; sulfuric acid Traditional Name: (3E)-3-[hydroxy(phenethyloxy)methylene]-2H-isoquinoline-7,8-quinone; sulfuric acid Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=C2C=C3C=CC(=O)C(=O)C3=CN2)O.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCO/C(=C/2\C=C3C=CC(=O)C(=O)C3=CN2)/O.OS(=O)(=O)O

InChI

InChI=1S/C18H15NO4.H2O4S/c20-16-7-6-13-10-15(19-11-14(13)17(16)21)18(22)23-9-8-12-4-2-1-3-5-12;1-5(2,3)4/h1-7,10-11,19,22H,8-9H2;(H2,1,2,3,4)/b18-15+;