3-nitro-5-oxidanyl-benzenesulfonate

Systemtic Name: 3-nitro-5-oxidanyl-benzenesulfonate Openeye Name: 3-hydroxy-5-nitro-benzenesulfonate CAS Name: 3-hydroxy-5-nitrobenzenesulfonate IUPAC Name: 3-hydroxy-5-nitrobenzenesulfonate Traditional Name: 3-hydroxy-5-nitro-besylate Formula: C6H4NO6S- MolecularWeight: 218.16406

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1O)S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C=C1O)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H5NO6S/c8-5-1-4(7(9)10)2-6(3-5)14(11,12)13/h1-3,8H,(H,11,12,13)/p-1