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

Systemtic Name: 3-(4-butylphenyl)-2-(4-methoxyphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione Openeye Name: 3-(4-butylphenyl)-2-(4-methoxyphenyl)-1-phenyl-benzo[f]isoindole-4,9-dione CAS Name: 3-(4-butylphenyl)-2-(4-methoxyphenyl)-1-phenylbenzo[f]isoindole-4,9-dione IUPAC Name: 3-(4-butylphenyl)-2-(4-methoxyphenyl)-1-phenylbenzo[f]isoindole-4,9-dione Traditional Name: 3-(4-butylphenyl)-2-(4-methoxyphenyl)-1-phenyl-benz[f]isoindole-4,9-quinone Formula: C35H29NO3 MolecularWeight: 511.60966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C3C(=C(N2C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C3C(=C(N2C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C3=O

InChI

InChI=1S/C35H29NO3/c1-3-4-10-23-15-17-25(18-16-23)33-31-30(34(37)28-13-8-9-14-29(28)35(31)38)32(24-11-6-5-7-12-24)36(33)26-19-21-27(39-2)22-20-26/h5-9,11-22H,3-4,10H2,1-2H3