tripotassium 5-nitro-4-oxidanidyl-benzene-1,3-disulfonate

Systemtic Name: tripotassium 5-nitro-4-oxidanidyl-benzene-1,3-disulfonate Openeye Name: tripotassium 5-nitro-4-oxido-benzene-1,3-disulfonate CAS Name: tripotassium 5-nitro-4-oxidobenzene-1,3-disulfonate IUPAC Name: tripotassium 5-nitro-4-oxidobenzene-1,3-disulfonate Traditional Name: tripotassium 5-nitro-4-oxido-benzene-1,3-disulfonate Formula: C6H2K3NO9S2 MolecularWeight: 413.50628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)[O-])[O-])[N+](=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)[O-])[O-])[N+](=O)[O-])S(=O)(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/C6H5NO9S2.3K/c8-6-4(7(9)10)1-3(17(11,12)13)2-5(6)18(14,15)16;;;/h1-2,8H,(H,11,12,13)(H,14,15,16);;;/q;3*+1/p-3