4,5,6-tris(bromanyl)-2-butyl-isoindole-1,3-dione

Systemtic Name: 4,5,6-tris(bromanyl)-2-butyl-isoindole-1,3-dione Openeye Name: 4,5,6-tribromo-2-butyl-isoindoline-1,3-dione CAS Name: 4,5,6-tribromo-2-butylisoindole-1,3-dione IUPAC Name: 4,5,6-tribromo-2-butylisoindole-1,3-dione Traditional Name: 4,5,6-tribromo-2-butyl-isoindoline-1,3-quinone Formula: C12H10Br3NO2 MolecularWeight: 439.9253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC(=C(C(=C2C1=O)Br)Br)Br

Isomeric SMILES

CCCCN1C(=O)C2=CC(=C(C(=C2C1=O)Br)Br)Br

InChI

InChI=1S/C12H10Br3NO2/c1-2-3-4-16-11(17)6-5-7(13)9(14)10(15)8(6)12(16)18/h5H,2-4H2,1H3