2,3-dinitrobenzenethiol hydrate

Systemtic Name: 2,3-dinitrobenzenethiol hydrate Openeye Name: 2,3-dinitrobenzenethiol hydrate CAS Name: 2,3-dinitrobenzenethiol hydrate IUPAC Name: 2,3-dinitrobenzenethiol hydrate Traditional Name: 2,3-dinitrobenzenethiol hydrate Formula: C12H10N4O9S2 MolecularWeight: 418.3592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H4N2O4S.H2O/c2*9-7(10)4-2-1-3-5(13)6(4)8(11)12;/h2*1-3,13H;1H2