methyl 3-nitro-4-sulfanyl-benzenesulfonate

Systemtic Name: methyl 3-nitro-4-sulfanyl-benzenesulfonate Openeye Name: methyl 3-nitro-4-sulfanyl-benzenesulfonate CAS Name: 4-mercapto-3-nitrobenzenesulfonic acid methyl ester IUPAC Name: methyl 3-nitro-4-sulfanylbenzenesulfonate Traditional Name: 4-mercapto-3-nitro-benzenesulfonic acid methyl ester Formula: C7H7NO5S2 MolecularWeight: 249.26418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO5S2/c1-13-15(11,12)5-2-3-7(14)6(4-5)8(9)10/h2-4,14H,1H3