2-[2-(1,3-benzodioxol-5-yl)hexyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)hexyl]isoindole-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)hexyl]isoindoline-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)hexyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)hexyl]isoindole-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)hexyl]isoindoline-1,3-quinone Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO4/c1-2-3-6-15(14-9-10-18-19(11-14)26-13-25-18)12-22-20(23)16-7-4-5-8-17(16)21(22)24/h4-5,7-11,15H,2-3,6,12-13H2,1H3