2-[(4-hexylphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-hexylphenyl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-hexylphenyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-hexylphenyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-hexylphenyl)methyl]isoindole-1,3-dione Traditional Name: 2-(4-hexylbenzyl)isoindoline-1,3-quinone Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H23NO2/c1-2-3-4-5-8-16-11-13-17(14-12-16)15-22-20(23)18-9-6-7-10-19(18)21(22)24/h6-7,9-14H,2-5,8,15H2,1H3