2-(4-oxidanylbutyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-(4-oxidanylbutyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-(4-hydroxybutyl)-4H-isoquinoline-1,3-dione CAS Name: 2-(4-hydroxybutyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-(4-hydroxybutyl)-4H-isoquinoline-1,3-dione Traditional Name: 2-(4-hydroxybutyl)-4H-isoquinoline-1,3-quinone Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCCCO

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCCCO

InChI

InChI=1S/C13H15NO3/c15-8-4-3-7-14-12(16)9-10-5-1-2-6-11(10)13(14)17/h1-2,5-6,15H,3-4,7-9H2