4-azanyl-1-nitro-3-oxidanyl-cyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: 4-azanyl-1-nitro-3-oxidanyl-cyclohexa-2,5-diene-1-sulfonic acid Openeye Name: 4-amino-3-hydroxy-1-nitro-cyclohexa-2,5-diene-1-sulfonic acid CAS Name: 4-amino-3-hydroxy-1-nitro-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: 4-amino-3-hydroxy-1-nitrocyclohexa-2,5-diene-1-sulfonic acid Traditional Name: 4-amino-3-hydroxy-1-nitro-cyclohexa-2,5-diene-1-sulfonic acid Formula: C6H8N2O6S MolecularWeight: 236.20252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N2O6S/c7-4-1-2-6(8(10)11,3-5(4)9)15(12,13)14/h1-4,9H,7H2,(H,12,13,14)