5-(1-adamantyl)-2-(3,5-dimethylphenyl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(3,5-dimethylphenyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(3,5-dimethylphenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(3,5-dimethylphenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(3,5-dimethylphenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(3,5-dimethylphenyl)isoindoline-1,3-quinone Formula: C26H27NO2 MolecularWeight: 385.49808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C26H27NO2/c1-15-5-16(2)7-21(6-15)27-24(28)22-4-3-20(11-23(22)25(27)29)26-12-17-8-18(13-26)10-19(9-17)14-26/h3-7,11,17-19H,8-10,12-14H2,1-2H3