3-nitrobenzenesulfonic acid; N-sulfanidylcarbamothioate

Systemtic Name: 3-nitrobenzenesulfonic acid; N-sulfanidylcarbamothioate Openeye Name: 3-nitrobenzenesulfonic acid; N-sulfidocarbamothioate CAS Name: 3-nitrobenzenesulfonic acid; N-sulfidocarbamothioate IUPAC Name: 3-nitrobenzenesulfonic acid; N-sulfidocarbamothioate Traditional Name: 3-nitrobesylic acid; N-sulfidothiocarbamate Formula: C13H11N3O11S4-2 MolecularWeight: 513.49994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H5NO5S.CH2NOS2/c2*8-7(9)5-2-1-3-6(4-5)13(10,11)12;3-1(4)2-5/h2*1-4H,(H,10,11,12);(H2-,2,3,4,5)/q;;-1/p-1