2-(4-bromanylbutyl)-2-oxidanidyl-isoindol-2-ium-1,3-dione

Systemtic Name: 2-(4-bromanylbutyl)-2-oxidanidyl-isoindol-2-ium-1,3-dione Openeye Name: 2-(4-bromobutyl)-2-oxido-isoindolin-2-ium-1,3-dione CAS Name: 2-(4-bromobutyl)-2-oxidoisoindol-2-ium-1,3-dione IUPAC Name: 2-(4-bromobutyl)-2-oxidoisoindol-2-ium-1,3-dione Traditional Name: 2-(4-bromobutyl)-2-oxido-isoindolin-2-ium-1,3-quinone Formula: C12H12BrNO3 MolecularWeight: 298.13258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)[N+](C2=O)(CCCCBr)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[N+](C2=O)(CCCCBr)[O-]

InChI

InChI=1S/C12H12BrNO3/c13-7-3-4-8-14(17)11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2