[(5-azanyl-2-nitro-4-oxidanyl-phenyl)sulfonylamino]methanesulfonic acid

Systemtic Name: [(5-azanyl-2-nitro-4-oxidanyl-phenyl)sulfonylamino]methanesulfonic acid Openeye Name: [(5-amino-4-hydroxy-2-nitro-phenyl)sulfonylamino]methanesulfonic acid CAS Name: [(5-amino-4-hydroxy-2-nitrophenyl)sulfonylamino]methanesulfonic acid IUPAC Name: [(5-amino-4-hydroxy-2-nitrophenyl)sulfonylamino]methanesulfonic acid Traditional Name: [(5-amino-4-hydroxy-2-nitro-phenyl)sulfonylamino]methanesulfonic acid Formula: C7H9N3O8S2 MolecularWeight: 327.29166

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)NCS(=O)(=O)O)[N+](=O)[O-])O)N

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)NCS(=O)(=O)O)[N+](=O)[O-])O)N

InChI

InChI=1S/C7H9N3O8S2/c8-4-1-7(5(10(12)13)2-6(4)11)20(17,18)9-3-19(14,15)16/h1-2,9,11H,3,8H2,(H,14,15,16)