7-(4-bromophenyl)sulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(4-bromophenyl)sulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(4-bromophenyl)sulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(4-bromophenyl)sulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(4-bromophenyl)sulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-brosyloxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H10BrNO6S2 MolecularWeight: 420.2556

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)OS(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)OS(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C13H10BrNO6S2/c14-7-1-3-8(4-2-7)23(19,20)21-10-11(16)15-9(13(17)18)5-6-22-12(10)15/h1-5,10,12H,6H2,(H,17,18)