4-[2-oxidanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]butanoic acid

Systemtic Name: 4-[2-oxidanyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]butanoic acid Openeye Name: 4-(2-hydroxy-1,3-dioxo-isoindolin-2-ium-2-yl)butanoic acid CAS Name: 4-(2-hydroxy-1,3-dioxo-2-isoindol-2-iumyl)butanoic acid IUPAC Name: 4-(2-hydroxy-1,3-dioxoisoindol-2-ium-2-yl)butanoic acid Traditional Name: 4-(2-hydroxy-1,3-diketo-isoindolin-2-ium-2-yl)butyric acid Formula: C12H12NO5+ MolecularWeight: 250.22738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5/c14-10(15)6-3-7-13(18)11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5,18H,3,6-7H2/p+1