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4,5,6-tris(bromanyl)-2-oxidanyl-isoindol-2-ium-1,3-dione bromide

4,5,6-tris(bromanyl)-2-oxidanyl-isoindol-2-ium-1,3-dione bromide

Systemtic Name:4,5,6-tris(bromanyl)-2-oxidanyl-isoindol-2-ium-1,3-dione bromide
Openeye Name:4,5,6-tribromo-2-hydroxy-isoindolin-2-ium-1,3-dione bromide
CAS Name:4,5,6-tribromo-2-hydroxyisoindol-2-ium-1,3-dione bromide
IUPAC Name:4,5,6-tribromo-2-hydroxyisoindol-2-ium-1,3-dione bromide
Traditional Name:4,5,6-tribromo-2-hydroxy-isoindolin-2-ium-1,3-quinone bromide
Formula: C8H3Br4NO3
MolecularWeight: 480.73032
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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1Br)Br)Br)C(=O)[NH+](C2=O)O.[Br-]


Isomeric SMILES

C1=C2C(=C(C(=C1Br)Br)Br)C(=O)[NH+](C2=O)O.[Br-]


InChI

InChI=1S/C8H2Br3NO3.BrH/c9-3-1-2-4(6(11)5(3)10)8(14)12(15)7(2)13;/h1,15H;1H


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