2-[8-[3-(2,6-dimethylphenyl)-2-methyl-phenoxy]octyl]isoindole-1,3-dione

Systemtic Name: 2-[8-[3-(2,6-dimethylphenyl)-2-methyl-phenoxy]octyl]isoindole-1,3-dione Openeye Name: 2-[8-[3-(2,6-dimethylphenyl)-2-methyl-phenoxy]octyl]isoindoline-1,3-dione CAS Name: 2-[8-[3-(2,6-dimethylphenyl)-2-methylphenoxy]octyl]isoindole-1,3-dione IUPAC Name: 2-[8-[3-(2,6-dimethylphenyl)-2-methylphenoxy]octyl]isoindole-1,3-dione Traditional Name: 2-[8-[3-(2,6-dimethylphenyl)-2-methyl-phenoxy]octyl]isoindoline-1,3-quinone Formula: C31H35NO3 MolecularWeight: 469.6145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(C(=CC=C2)OCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(C(=CC=C2)OCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C31H35NO3/c1-22-14-12-15-23(2)29(22)25-18-13-19-28(24(25)3)35-21-11-7-5-4-6-10-20-32-30(33)26-16-8-9-17-27(26)31(32)34/h8-9,12-19H,4-7,10-11,20-21H2,1-3H3