phenyl 3-nitro-4-sulfanyl-benzenesulfonate

Systemtic Name: phenyl 3-nitro-4-sulfanyl-benzenesulfonate Openeye Name: phenyl 3-nitro-4-sulfanyl-benzenesulfonate CAS Name: 4-mercapto-3-nitrobenzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-nitro-4-sulfanylbenzenesulfonate Traditional Name: 4-mercapto-3-nitro-benzenesulfonic acid phenyl ester Formula: C12H9NO5S2 MolecularWeight: 311.33356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C12H9NO5S2/c14-13(15)11-8-10(6-7-12(11)19)20(16,17)18-9-4-2-1-3-5-9/h1-8,19H