5-(4-phenoxyphenyl)-4-[4-(2-phenylethynyl)phenyl]carbonyl-isoindole-1,3-dione

Systemtic Name: 5-(4-phenoxyphenyl)-4-[4-(2-phenylethynyl)phenyl]carbonyl-isoindole-1,3-dione Openeye Name: 5-(4-phenoxyphenyl)-4-[4-(2-phenylethynyl)benzoyl]isoindoline-1,3-dione CAS Name: 4-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-5-(4-phenoxyphenyl)isoindole-1,3-dione IUPAC Name: 5-(4-phenoxyphenyl)-4-[4-(2-phenylethynyl)benzoyl]isoindole-1,3-dione Traditional Name: 5-(4-phenoxyphenyl)-4-[4-(2-phenylethynyl)benzoyl]isoindoline-1,3-quinone Formula: C35H21NO4 MolecularWeight: 519.54554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=C(C=CC4=C3C(=O)NC4=O)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=C(C=CC4=C3C(=O)NC4=O)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C35H21NO4/c37-33(26-15-13-24(14-16-26)12-11-23-7-3-1-4-8-23)31-29(21-22-30-32(31)35(39)36-34(30)38)25-17-19-28(20-18-25)40-27-9-5-2-6-10-27/h1-10,13-22H,(H,36,38,39)