(8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) 4-nitrobenzenesulfonate

Systemtic Name: (8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) 4-nitrobenzenesulfonate Openeye Name: (8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) ester IUPAC Name: (8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl) ester Formula: C12H10N2O6S2 MolecularWeight: 342.3476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C=C(CS2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C=C(CS2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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