4,5,6-tris(bromanyl)-2-(2-ethoxyphenyl)isoindol-2-ium-1,3-dione bromide

Systemtic Name: 4,5,6-tris(bromanyl)-2-(2-ethoxyphenyl)isoindol-2-ium-1,3-dione bromide Openeye Name: 4,5,6-tribromo-2-(2-ethoxyphenyl)isoindolin-2-ium-1,3-dione bromide CAS Name: 4,5,6-tribromo-2-(2-ethoxyphenyl)isoindol-2-ium-1,3-dione bromide IUPAC Name: 4,5,6-tribromo-2-(2-ethoxyphenyl)isoindol-2-ium-1,3-dione bromide Traditional Name: 4,5,6-tribromo-2-o-phenetyl-isoindolin-2-ium-1,3-quinone bromide Formula: C16H11Br4NO3 MolecularWeight: 584.87944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1[NH+]2C(=O)C3=CC(=C(C(=C3C2=O)Br)Br)Br.[Br-]

Isomeric SMILES

CCOC1=CC=CC=C1[NH+]2C(=O)C3=CC(=C(C(=C3C2=O)Br)Br)Br.[Br-]

InChI

InChI=1S/C16H10Br3NO3.BrH/c1-2-23-11-6-4-3-5-10(11)20-15(21)8-7-9(17)13(18)14(19)12(8)16(20)22;/h3-7H,2H2,1H3;1H