2-(3-iodanylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-(3-iodanylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-(3-iodophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-(3-iodophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-(3-iodophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-(3-iodophenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C16H16INO2 MolecularWeight: 381.20821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)I)C

Isomeric SMILES

CC1=C(CC2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)I)C

InChI

InChI=1S/C16H16INO2/c1-9-6-13-14(7-10(9)2)16(20)18(15(13)19)12-5-3-4-11(17)8-12/h3-5,8,13-14H,6-7H2,1-2H3