4,5,6,7-tetrakis(bromanyl)-2-(3-ethynylphenyl)isoindole-1,3-dione

Systemtic Name: 4,5,6,7-tetrakis(bromanyl)-2-(3-ethynylphenyl)isoindole-1,3-dione Openeye Name: 4,5,6,7-tetrabromo-2-(3-ethynylphenyl)isoindoline-1,3-dione CAS Name: 4,5,6,7-tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione IUPAC Name: 4,5,6,7-tetrabromo-2-(3-ethynylphenyl)isoindole-1,3-dione Traditional Name: 4,5,6,7-tetrabromo-2-(3-ethynylphenyl)isoindoline-1,3-quinone Formula: C16H5Br4NO2 MolecularWeight: 562.8324

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Br)Br)Br)Br

InChI

InChI=1S/C16H5Br4NO2/c1-2-7-4-3-5-8(6-7)21-15(22)9-10(16(21)23)12(18)14(20)13(19)11(9)17/h1,3-6H