5-nitro-2-(trichloromethylsulfanyl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(trichloromethylsulfanyl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(trichloromethylsulfanyl)isoindoline-1,3-dione CAS Name: 5-nitro-2-(trichloromethylthio)isoindole-1,3-dione IUPAC Name: 5-nitro-2-(trichloromethylsulfanyl)isoindole-1,3-dione Traditional Name: 5-nitro-2-(trichloromethylthio)isoindoline-1,3-quinone Formula: C9H3Cl3N2O4S MolecularWeight: 341.55512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)SC(Cl)(Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)SC(Cl)(Cl)Cl

InChI

InChI=1S/C9H3Cl3N2O4S/c10-9(11,12)19-13-7(15)5-2-1-4(14(17)18)3-6(5)8(13)16/h1-3H