2-(4-oxidanylbutyl)isoindole-1,3-dione; 2-(3-oxidanylpropyl)isoindole-1,3-dione

Systemtic Name: 2-(4-oxidanylbutyl)isoindole-1,3-dione; 2-(3-oxidanylpropyl)isoindole-1,3-dione Openeye Name: 2-(4-hydroxybutyl)isoindoline-1,3-dione; 2-(3-hydroxypropyl)isoindoline-1,3-dione CAS Name: 2-(4-hydroxybutyl)isoindole-1,3-dione; 2-(3-hydroxypropyl)isoindole-1,3-dione IUPAC Name: 2-(4-hydroxybutyl)isoindole-1,3-dione; 2-(3-hydroxypropyl)isoindole-1,3-dione Traditional Name: 2-(4-hydroxybutyl)isoindoline-1,3-quinone; 2-(3-hydroxypropyl)isoindoline-1,3-quinone Formula: C23H24N2O6 MolecularWeight: 424.44646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCO.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCO.C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO

InChI

InChI=1S/C12H13NO3.C11H11NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16;13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,5-6,14H,3-4,7-8H2;1-2,4-5,13H,3,6-7H2