4-sulfanyl-5-(trichloromethyl)isoindole-1,3-dione

Systemtic Name: 4-sulfanyl-5-(trichloromethyl)isoindole-1,3-dione Openeye Name: 4-sulfanyl-5-(trichloromethyl)isoindoline-1,3-dione CAS Name: 4-mercapto-5-(trichloromethyl)isoindole-1,3-dione IUPAC Name: 4-sulfanyl-5-(trichloromethyl)isoindole-1,3-dione Traditional Name: 4-mercapto-5-(trichloromethyl)isoindoline-1,3-quinone Formula: C9H4Cl3NO2S MolecularWeight: 296.55756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C(=O)NC2=O)S)C(Cl)(Cl)Cl

Isomeric SMILES

C1=CC(=C(C2=C1C(=O)NC2=O)S)C(Cl)(Cl)Cl

InChI

InChI=1S/C9H4Cl3NO2S/c10-9(11,12)4-2-1-3-5(6(4)16)8(15)13-7(3)14/h1-2,16H,(H,13,14,15)