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

Systemtic Name: 2-hexyl-2-oxidanidyl-isoindol-2-ium-1,3-dione Openeye Name: 2-hexyl-2-oxido-isoindolin-2-ium-1,3-dione CAS Name: 2-hexyl-2-oxidoisoindol-2-ium-1,3-dione IUPAC Name: 2-hexyl-2-oxidoisoindol-2-ium-1,3-dione Traditional Name: 2-hexyl-2-oxido-isoindolin-2-ium-1,3-quinone Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-2-3-4-7-10-15(18)13(16)11-8-5-6-9-12(11)14(15)17/h5-6,8-9H,2-4,7,10H2,1H3