3-nitro-4-oxidanyl-benzenesulfonate

Systemtic Name: 3-nitro-4-oxidanyl-benzenesulfonate Openeye Name: 4-hydroxy-3-nitro-benzenesulfonate CAS Name: 4-hydroxy-3-nitrobenzenesulfonate IUPAC Name: 4-hydroxy-3-nitrobenzenesulfonate Traditional Name: 4-hydroxy-3-nitro-besylate Formula: C6H4NO6S- MolecularWeight: 218.16406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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