4,5,6-tris(chloranyl)-2-propyl-isoindol-2-ium-1,3-dione chloride

Systemtic Name: 4,5,6-tris(chloranyl)-2-propyl-isoindol-2-ium-1,3-dione chloride Openeye Name: 4,5,6-trichloro-2-propyl-isoindolin-2-ium-1,3-dione chloride CAS Name: 4,5,6-trichloro-2-propylisoindol-2-ium-1,3-dione chloride IUPAC Name: 4,5,6-trichloro-2-propylisoindol-2-ium-1,3-dione chloride Traditional Name: 4,5,6-trichloro-2-propyl-isoindolin-2-ium-1,3-quinone chloride Formula: C11H9Cl4NO2 MolecularWeight: 329.00666

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1C(=O)C2=CC(=C(C(=C2C1=O)Cl)Cl)Cl.[Cl-]

Isomeric SMILES

CCC[NH+]1C(=O)C2=CC(=C(C(=C2C1=O)Cl)Cl)Cl.[Cl-]

InChI

InChI=1S/C11H8Cl3NO2.ClH/c1-2-3-15-10(16)5-4-6(12)8(13)9(14)7(5)11(15)17;/h4H,2-3H2,1H3;1H