3-nitro-4-sulfanyl-benzenesulfonic acid

Systemtic Name: 3-nitro-4-sulfanyl-benzenesulfonic acid Openeye Name: 3-nitro-4-sulfanyl-benzenesulfonic acid CAS Name: 4-mercapto-3-nitrobenzenesulfonic acid IUPAC Name: 3-nitro-4-sulfanylbenzenesulfonic acid Traditional Name: 4-mercapto-3-nitro-besylic acid Formula: C6H5NO5S2 MolecularWeight: 235.2376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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