5-(4-ethynylphenoxy)-2-(3-ethynylphenyl)benzo[e]isoindole-1,3-dione

Systemtic Name: 5-(4-ethynylphenoxy)-2-(3-ethynylphenyl)benzo[e]isoindole-1,3-dione Openeye Name: 5-(4-ethynylphenoxy)-2-(3-ethynylphenyl)benzo[e]isoindole-1,3-dione CAS Name: 5-(4-ethynylphenoxy)-2-(3-ethynylphenyl)benzo[e]isoindole-1,3-dione IUPAC Name: 5-(4-ethynylphenoxy)-2-(3-ethynylphenyl)benzo[e]isoindole-1,3-dione Traditional Name: 5-(4-ethynylphenoxy)-2-(3-ethynylphenyl)benz[e]isoindole-1,3-quinone Formula: C28H15NO3 MolecularWeight: 413.4236

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)OC2=CC3=C(C4=CC=CC=C42)C(=O)N(C3=O)C5=CC=CC(=C5)C#C

Isomeric SMILES

C#CC1=CC=C(C=C1)OC2=CC3=C(C4=CC=CC=C42)C(=O)N(C3=O)C5=CC=CC(=C5)C#C

InChI

InChI=1S/C28H15NO3/c1-3-18-12-14-21(15-13-18)32-25-17-24-26(23-11-6-5-10-22(23)25)28(31)29(27(24)30)20-9-7-8-19(4-2)16-20/h1-2,5-17H