1,3-dinitrobenzene; methane; dicarbamothioate

Systemtic Name: 1,3-dinitrobenzene; methane; dicarbamothioate Openeye Name: 1,3-dinitrobenzene; methane; dicarbamothioate CAS Name: 1,3-dinitrobenzene; methane; dicarbamothioate IUPAC Name: 1,3-dinitrobenzene; methane; dicarbamothioate Traditional Name: 1,3-dinitrobenzene; methane; dithiocarbamate Formula: C10H16N4O6S2-2 MolecularWeight: 352.38724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.C.C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].C(=S)(N)[O-].C(=S)(N)[O-]

Isomeric SMILES

C.C.C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].C(=S)(N)[O-].C(=S)(N)[O-]

InChI

InChI=1S/C6H4N2O4.2CH3NOS.2CH4/c9-7(10)5-2-1-3-6(4-5)8(11)12;2*2-1(3)4;;/h1-4H;2*(H3,2,3,4);2*1H4/p-2