2-[6-(dioxidanyl)-6-oxidanylidene-hexyl]-1,3-bis(oxidanylidene)isoindole-4-carboxylic acid

Systemtic Name: 2-[6-(dioxidanyl)-6-oxidanylidene-hexyl]-1,3-bis(oxidanylidene)isoindole-4-carboxylic acid Openeye Name: 2-(6-hydroperoxy-6-oxo-hexyl)-1,3-dioxo-isoindoline-4-carboxylic acid CAS Name: 2-(6-hydroperoxy-6-oxohexyl)-1,3-dioxo-4-isoindolecarboxylic acid IUPAC Name: 2-(6-hydroperoxy-6-oxohexyl)-1,3-dioxoisoindole-4-carboxylic acid Traditional Name: 2-(6-hydroperoxy-6-keto-hexyl)-1,3-diketo-isoindoline-4-carboxylic acid Formula: C15H15NO7 MolecularWeight: 321.2821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO7/c17-11(23-22)7-2-1-3-8-16-13(18)9-5-4-6-10(15(20)21)12(9)14(16)19/h4-6,22H,1-3,7-8H2,(H,20,21)