5,6-bis(bromanyl)-2-[4-(2,6-dimethylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Systemtic Name: 5,6-bis(bromanyl)-2-[4-(2,6-dimethylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Openeye Name: 5,6-dibromo-2-[4-(2,6-dimethylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione CAS Name: 5,6-dibromo-2-[4-(2,6-dimethylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione IUPAC Name: 5,6-dibromo-2-[4-(2,6-dimethylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione Traditional Name: 5,6-dibromo-2-[4-(2,6-dimethylphenoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone Formula: C22H21Br2NO3 MolecularWeight: 507.21504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)N3C(=O)C4CC(C(CC4C3=O)Br)Br

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)N3C(=O)C4CC(C(CC4C3=O)Br)Br

InChI

InChI=1S/C22H21Br2NO3/c1-12-4-3-5-13(2)20(12)28-15-8-6-14(7-9-15)25-21(26)16-10-18(23)19(24)11-17(16)22(25)27/h3-9,16-19H,10-11H2,1-2H3