2-nitro-5-sulfanyl-benzenesulfonic acid

Systemtic Name: 2-nitro-5-sulfanyl-benzenesulfonic acid Openeye Name: 2-nitro-5-sulfanyl-benzenesulfonic acid CAS Name: 5-mercapto-2-nitrobenzenesulfonic acid IUPAC Name: 2-nitro-5-sulfanylbenzenesulfonic acid Traditional Name: 5-mercapto-2-nitro-besylic acid Formula: C6H5NO5S2 MolecularWeight: 235.2376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO5S2/c8-7(9)5-2-1-4(13)3-6(5)14(10,11)12/h1-3,13H,(H,10,11,12)