(8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl) 4-nitrobenzenesulfonate

Systemtic Name: (8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl) 4-nitrobenzenesulfonate Openeye Name: (8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl) ester IUPAC Name: (8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl) ester Formula: C12H10N2O6S2 MolecularWeight: 342.3476

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN2C(S1)C(C2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C=CN2C(S1)C(C2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O6S2/c15-11-10(12-13(11)6-1-7-21-12)20-22(18,19)9-4-2-8(3-5-9)14(16)17/h1-6,10,12H,7H2