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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=CC1(N)O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1C(=CC(=CC1(N)O)[N+](=O)[O-])S(=O)(=O)O

InChI

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