5,6-diethoxy-7-fluoranyl-3H-isoindol-1-amine; sulfuric acid

Systemtic Name: 5,6-diethoxy-7-fluoranyl-3H-isoindol-1-amine; sulfuric acid Openeye Name: 5,6-diethoxy-7-fluoro-3H-isoindol-1-amine; sulfuric acid CAS Name: 5,6-diethoxy-7-fluoro-3H-isoindol-1-amine; sulfuric acid IUPAC Name: 5,6-diethoxy-7-fluoro-3H-isoindol-1-amine; sulfuric acid Traditional Name: (5,6-diethoxy-7-fluoro-3H-isoindol-1-yl)amine; sulfuric acid Formula: C12H17FN2O6S MolecularWeight: 336.336583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN=C2N)F)OCC.OS(=O)(=O)O

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN=C2N)F)OCC.OS(=O)(=O)O

InChI

InChI=1S/C12H15FN2O2.H2O4S/c1-3-16-8-5-7-6-15-12(14)9(7)10(13)11(8)17-4-2;1-5(2,3)4/h5H,3-4,6H2,1-2H3,(H2,14,15);(H2,1,2,3,4)