2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(2,5-dimethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H17NO2 MolecularWeight: 255.31168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C16H17NO2/c1-10-7-8-11(2)14(9-10)17-15(18)12-5-3-4-6-13(12)16(17)19/h3-4,7-9,12-13H,5-6H2,1-2H3