2-[6-(dioxidanyl)-6-oxidanylidene-hexyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[6-(dioxidanyl)-6-oxidanylidene-hexyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(6-hydroperoxy-6-oxo-hexyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(6-hydroperoxy-6-oxohexyl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(6-hydroperoxy-6-oxohexyl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-(6-hydroperoxy-6-keto-hexyl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C15H15NO7 MolecularWeight: 321.2821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)CCCCCC(=O)OO

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=O)N(C2=O)CCCCCC(=O)OO

InChI

InChI=1S/C15H15NO7/c17-12(23-22)4-2-1-3-7-16-13(18)10-6-5-9(15(20)21)8-11(10)14(16)19/h5-6,8,22H,1-4,7H2,(H,20,21)