2-azanyl-3-nitro-6-oxidanyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-3-nitro-6-oxidanyl-benzenesulfonic acid Openeye Name: 2-amino-6-hydroxy-3-nitro-benzenesulfonic acid CAS Name: 2-amino-6-hydroxy-3-nitrobenzenesulfonic acid IUPAC Name: 2-amino-6-hydroxy-3-nitrobenzenesulfonic acid Traditional Name: 2-amino-6-hydroxy-3-nitro-besylic acid Formula: C6H6N2O6S MolecularWeight: 234.18664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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