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

Systemtic Name: 4-phenyl-5-[4-(2-phenylethynyl)phenyl]carbonyl-isoindole-1,3-dione Openeye Name: 4-phenyl-5-[4-(2-phenylethynyl)benzoyl]isoindoline-1,3-dione CAS Name: 5-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-4-phenylisoindole-1,3-dione IUPAC Name: 4-phenyl-5-[4-(2-phenylethynyl)benzoyl]isoindole-1,3-dione Traditional Name: 4-phenyl-5-[4-(2-phenylethynyl)benzoyl]isoindoline-1,3-quinone Formula: C29H17NO3 MolecularWeight: 427.45018

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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(C4=C(C=C3)C(=O)NC4=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=C(C4=C(C=C3)C(=O)NC4=O)C5=CC=CC=C5

InChI

InChI=1S/C29H17NO3/c31-27(22-15-13-20(14-16-22)12-11-19-7-3-1-4-8-19)23-17-18-24-26(29(33)30-28(24)32)25(23)21-9-5-2-6-10-21/h1-10,13-18H,(H,30,32,33)