2-(4-octylphenyl)isoindole-1,3-dione

Systemtic Name: 2-(4-octylphenyl)isoindole-1,3-dione Openeye Name: 2-(4-octylphenyl)isoindoline-1,3-dione CAS Name: 2-(4-octylphenyl)isoindole-1,3-dione IUPAC Name: 2-(4-octylphenyl)isoindole-1,3-dione Traditional Name: 2-(4-octylphenyl)isoindoline-1,3-quinone Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H25NO2/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)23-21(24)19-11-8-9-12-20(19)22(23)25/h8-9,11-16H,2-7,10H2,1H3