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

Systemtic Name: 4-(trichloromethylsulfanyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione Openeye Name: 4-(trichloromethylsulfanyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione CAS Name: 4-(trichloromethylthio)-3a,4,5,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 4-(trichloromethylsulfanyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione Traditional Name: 4-(trichloromethylthio)-3a,4,5,7a-tetrahydroisoindole-1,3-quinone Formula: C9H8Cl3NO2S MolecularWeight: 300.58932

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2C(C1SC(Cl)(Cl)Cl)C(=O)NC2=O

Isomeric SMILES

C1C=CC2C(C1SC(Cl)(Cl)Cl)C(=O)NC2=O

InChI

InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-5-3-1-2-4-6(5)8(15)13-7(4)14/h1-2,4-6H,3H2,(H,13,14,15)