1,2-dinitrooxy-4-sulfosulfanyl-butane

Systemtic Name: 1,2-dinitrooxy-4-sulfosulfanyl-butane Openeye Name: 1,2-dinitrooxy-4-sulfosulfanyl-butane CAS Name: 1,2-dinitrooxy-4-(sulfothio)butane IUPAC Name: 1,2-dinitrooxy-4-sulfosulfanylbutane Traditional Name: 1,2-dinitrooxy-4-(sulfothio)butane Formula: C4H8N2O9S2 MolecularWeight: 292.24432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CSS(=O)(=O)O)C(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C(CSS(=O)(=O)O)C(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C4H8N2O9S2/c7-5(8)14-3-4(15-6(9)10)1-2-16-17(11,12)13/h4H,1-3H2,(H,11,12,13)