2-[2-ethyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]ethanoic acid

Systemtic Name: 2-[2-ethyl-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]ethanoic acid Openeye Name: 2-(2-ethyl-1,3-dioxo-isoindolin-2-ium-2-yl)acetic acid CAS Name: 2-(2-ethyl-1,3-dioxo-2-isoindol-2-iumyl)acetic acid IUPAC Name: 2-(2-ethyl-1,3-dioxoisoindol-2-ium-2-yl)acetic acid Traditional Name: 2-(2-ethyl-1,3-diketo-isoindolin-2-ium-2-yl)acetic acid Formula: C12H12NO4+ MolecularWeight: 234.22798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO4/c1-2-13(7-10(14)15)11(16)8-5-3-4-6-9(8)12(13)17/h3-6H,2,7H2,1H3/p+1