sodium 3-azanyl-5-nitro-2-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-azanyl-5-nitro-2-oxidanyl-benzenesulfonate Openeye Name: sodium 3-amino-2-hydroxy-5-nitro-benzenesulfonate CAS Name: sodium 3-amino-2-hydroxy-5-nitrobenzenesulfonate IUPAC Name: sodium 3-amino-2-hydroxy-5-nitrobenzenesulfonate Traditional Name: sodium 3-amino-2-hydroxy-5-nitro-besylate Formula: C6H5N2NaO6S MolecularWeight: 256.16847

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)[O-])O)N)[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)[O-])O)N)[N+](=O)[O-].[Na+]

InChI

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