5-azanyl-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 5-azanyl-3-nitro-6-oxidanylidene-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 5-amino-3-nitro-6-oxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 5-amino-3-nitro-6-oxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 5-amino-3-nitro-6-oxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 5-amino-6-keto-3-nitro-cyclohexa-1,3-diene-1-sulfonic acid Formula: C6H6N2O6S MolecularWeight: 234.18664

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=O)C1N)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=O)C1N)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O6S/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14/h1-2,4H,7H2,(H,12,13,14)