3-nitro-4-sulfanyl-benzenesulfinic acid

Systemtic Name: 3-nitro-4-sulfanyl-benzenesulfinic acid Openeye Name: 3-nitro-4-sulfanyl-benzenesulfinic acid CAS Name: 4-mercapto-3-nitrobenzenesulfinic acid IUPAC Name: 3-nitro-4-sulfanylbenzenesulfinic acid Traditional Name: 4-mercapto-3-nitro-benzenesulfinic acid Formula: C6H5NO4S2 MolecularWeight: 219.2382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO4S2/c8-7(9)5-3-4(13(10)11)1-2-6(5)12/h1-3,12H,(H,10,11)