2-chloranyl-3,5-dinitro-N-(2-oxidanylidenethiolan-3-yl)benzamide

Systemtic Name: 2-chloranyl-3,5-dinitro-N-(2-oxidanylidenethiolan-3-yl)benzamide Openeye Name: 2-chloro-3,5-dinitro-N-(2-oxotetrahydrothiophen-3-yl)benzamide CAS Name: 2-chloro-3,5-dinitro-N-(2-oxo-3-thiolanyl)benzamide IUPAC Name: 2-chloro-3,5-dinitro-N-(2-oxothiolan-3-yl)benzamide Traditional Name: 2-chloro-N-(2-ketotetrahydrothiophen-3-yl)-3,5-dinitro-benzamide Formula: C11H8ClN3O6S MolecularWeight: 345.71572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1NC(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CSC(=O)C1NC(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H8ClN3O6S/c12-9-6(10(16)13-7-1-2-22-11(7)17)3-5(14(18)19)4-8(9)15(20)21/h3-4,7H,1-2H2,(H,13,16)