3-diazo-5-nitro-4-oxidanyl-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 3-diazo-5-nitro-4-oxidanyl-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 3-diazo-4-hydroxy-5-nitro-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 3-diazo-4-hydroxy-5-nitro-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 3-diazo-4-hydroxy-5-nitrocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 3-diazo-4-hydroxy-5-nitro-cyclohexa-1,5-diene-1-sulfonic acid Formula: C6H5N3O6S MolecularWeight: 247.1854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5N3O6S/c7-8-4-1-3(16(13,14)15)2-5(6(4)10)9(11)12/h1-2,6,10H,(H,13,14,15)