6-[1,3-bis(oxidanylidene)isoindol-4-yl]hexaneperoxoic acid

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-4-yl]hexaneperoxoic acid Openeye Name: 6-(1,3-dioxoisoindolin-4-yl)hexaneperoxoic acid CAS Name: 6-(1,3-dioxo-4-isoindolyl)hexaneperoxoic acid IUPAC Name: 6-(1,3-dioxoisoindol-4-yl)hexaneperoxoic acid Traditional Name: 6-(1,3-diketoisoindolin-4-yl)hexaneperoxoic acid Formula: C14H15NO5 MolecularWeight: 277.2726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5/c16-11(20-19)8-3-1-2-5-9-6-4-7-10-12(9)14(18)15-13(10)17/h4,6-7,19H,1-3,5,8H2,(H,15,17,18)