4,5,6,7-tetrakis(chloranyl)-2-(2-phenyl-1,3-benzoxazol-6-yl)isoindole-1,3-dione

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-2-(2-phenyl-1,3-benzoxazol-6-yl)isoindole-1,3-dione Openeye Name: 4,5,6,7-tetrachloro-2-(2-phenyl-1,3-benzoxazol-6-yl)isoindoline-1,3-dione CAS Name: 4,5,6,7-tetrachloro-2-(2-phenyl-1,3-benzoxazol-6-yl)isoindole-1,3-dione IUPAC Name: 4,5,6,7-tetrachloro-2-(2-phenyl-1,3-benzoxazol-6-yl)isoindole-1,3-dione Traditional Name: 4,5,6,7-tetrachloro-2-(2-phenyl-1,3-benzoxazol-6-yl)isoindoline-1,3-quinone Formula: C21H8Cl4N2O3 MolecularWeight: 478.11182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=C(C(=C5Cl)Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)N4C(=O)C5=C(C4=O)C(=C(C(=C5Cl)Cl)Cl)Cl

InChI

InChI=1S/C21H8Cl4N2O3/c22-15-13-14(16(23)18(25)17(15)24)21(29)27(20(13)28)10-6-7-11-12(8-10)30-19(26-11)9-4-2-1-3-5-9/h1-8H