1-[4-(2-pyren-1-ylethynyl)phenyl]pyrrole-2,5-dione

Systemtic Name: 1-[4-(2-pyren-1-ylethynyl)phenyl]pyrrole-2,5-dione Openeye Name: 1-[4-(2-pyren-1-ylethynyl)phenyl]pyrrole-2,5-dione CAS Name: 1-[4-[2-(1-pyrenyl)ethynyl]phenyl]pyrrole-2,5-dione IUPAC Name: 1-[4-(2-pyren-1-ylethynyl)phenyl]pyrrole-2,5-dione Traditional Name: 1-[4-(2-pyren-1-ylethynyl)phenyl]-3-pyrroline-2,5-quinone Formula: C28H15NO2 MolecularWeight: 397.4242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)N6C(=O)C=CC6=O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C#CC5=CC=C(C=C5)N6C(=O)C=CC6=O

InChI

InChI=1S/C28H15NO2/c30-25-16-17-26(31)29(25)23-13-5-18(6-14-23)4-7-19-8-9-22-11-10-20-2-1-3-21-12-15-24(19)28(22)27(20)21/h1-3,5-6,8-17H