2-butyl-5-oxidanyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-oxidanyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-hydroxy-isoindoline-1,3-dione CAS Name: 2-butyl-5-hydroxyisoindole-1,3-dione IUPAC Name: 2-butyl-5-hydroxyisoindole-1,3-dione Traditional Name: 2-butyl-5-hydroxy-isoindoline-1,3-quinone Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)O

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)O

InChI

InChI=1S/C12H13NO3/c1-2-3-6-13-11(15)9-5-4-8(14)7-10(9)12(13)16/h4-5,7,14H,2-3,6H2,1H3