2-[8-[4-(2,6-dimethylphenyl)-3-methyl-phenoxy]octyl]isoindole-1,3-dione

Systemtic Name: 2-[8-[4-(2,6-dimethylphenyl)-3-methyl-phenoxy]octyl]isoindole-1,3-dione Openeye Name: 2-[8-[4-(2,6-dimethylphenyl)-3-methyl-phenoxy]octyl]isoindoline-1,3-dione CAS Name: 2-[8-[4-(2,6-dimethylphenyl)-3-methylphenoxy]octyl]isoindole-1,3-dione IUPAC Name: 2-[8-[4-(2,6-dimethylphenyl)-3-methylphenoxy]octyl]isoindole-1,3-dione Traditional Name: 2-[8-[4-(2,6-dimethylphenyl)-3-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=C(C=C2)OCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

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

InChI

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