5-ethynyl-2-phenyl-isoindole-1,3-dione

Systemtic Name: 5-ethynyl-2-phenyl-isoindole-1,3-dione Openeye Name: 5-ethynyl-2-phenyl-isoindoline-1,3-dione CAS Name: 5-ethynyl-2-phenylisoindole-1,3-dione IUPAC Name: 5-ethynyl-2-phenylisoindole-1,3-dione Traditional Name: 5-ethynyl-2-phenyl-isoindoline-1,3-quinone Formula: C16H9NO2 MolecularWeight: 247.24816

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

C#CC1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H9NO2/c1-2-11-8-9-13-14(10-11)16(19)17(15(13)18)12-6-4-3-5-7-12/h1,3-10H