phenyl 4-nitrosulfanylbenzenesulfonate

Systemtic Name: phenyl 4-nitrosulfanylbenzenesulfonate Openeye Name: phenyl 4-nitrosulfanylbenzenesulfonate CAS Name: 4-(nitrothio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-nitrosulfanylbenzenesulfonate Traditional Name: 4-(nitrothio)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)19-11-6-8-12(9-7-11)20(16,17)18-10-4-2-1-3-5-10/h1-9H