2-butyl-2-oxidanidyl-isoindol-2-ium-1,3-dione

Systemtic Name: 2-butyl-2-oxidanidyl-isoindol-2-ium-1,3-dione Openeye Name: 2-butyl-2-oxido-isoindolin-2-ium-1,3-dione CAS Name: 2-butyl-2-oxidoisoindol-2-ium-1,3-dione IUPAC Name: 2-butyl-2-oxidoisoindol-2-ium-1,3-dione Traditional Name: 2-butyl-2-oxido-isoindolin-2-ium-1,3-quinone Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)C2=CC=CC=C2C1=O)[O-]

Isomeric SMILES

CCCC[N+]1(C(=O)C2=CC=CC=C2C1=O)[O-]

InChI

InChI=1S/C12H13NO3/c1-2-3-8-13(16)11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3