4-[1,3-bis(oxidanylidene)isoindol-5-yl]butaneperoxoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-5-yl]butaneperoxoic acid Openeye Name: 4-(1,3-dioxoisoindolin-5-yl)butaneperoxoic acid CAS Name: 4-(1,3-dioxo-5-isoindolyl)butaneperoxoic acid IUPAC Name: 4-(1,3-dioxoisoindol-5-yl)butaneperoxoic acid Traditional Name: 4-(1,3-diketoisoindolin-5-yl)peroxybutyric acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCCC(=O)OO)C(=O)NC2=O

Isomeric SMILES

C1=CC2=C(C=C1CCCC(=O)OO)C(=O)NC2=O

InChI

InChI=1S/C12H11NO5/c14-10(18-17)3-1-2-7-4-5-8-9(6-7)12(16)13-11(8)15/h4-6,17H,1-3H2,(H,13,15,16)