3-(4-butylphenyl)-2-(2-ethoxyphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione

Systemtic Name: 3-(4-butylphenyl)-2-(2-ethoxyphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione Openeye Name: 3-(4-butylphenyl)-2-(2-ethoxyphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione CAS Name: 3-(4-butylphenyl)-2-(2-ethoxyphenyl)-1-phenylbenzo[f]isoindole-4,9-dione IUPAC Name: 3-(4-butylphenyl)-2-(2-ethoxyphenyl)-1-phenylbenzo[f]isoindole-4,9-dione Traditional Name: 3-(4-butylphenyl)-2-o-phenetyl-1-phenyl-benz[f]isoindole-4,9-quinone Formula: C36H31NO3 MolecularWeight: 525.63624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C3C(=C(N2C4=CC=CC=C4OCC)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C3C(=C(N2C4=CC=CC=C4OCC)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C3=O

InChI

InChI=1S/C36H31NO3/c1-3-5-13-24-20-22-26(23-21-24)34-32-31(35(38)27-16-9-10-17-28(27)36(32)39)33(25-14-7-6-8-15-25)37(34)29-18-11-12-19-30(29)40-4-2/h6-12,14-23H,3-5,13H2,1-2H3