benzenesulfonic acid; (5-sulfamoyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-ylidene)azanide

Systemtic Name: benzenesulfonic acid; (5-sulfamoyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-ylidene)azanide Openeye Name: benzenesulfonic acid; (5-sulfamoyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-ylidene)azanide CAS Name: benzenesulfonic acid; (5-sulfamoyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-ylidene)azanide IUPAC Name: benzenesulfonic acid; (5-sulfamoyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-ylidene)azanide Traditional Name: besylic acid; (5-sulfamoyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-ylidene)azanide Formula: C12H11N3O5S2 MolecularWeight: 341.36284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C([N+]2=[N-])C(=C1)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C([N+]2=[N-])C(=C1)S(=O)(=O)N

InChI

InChI=1S/C6H5N3O2S.C6H6O3S/c7-9-4-2-1-3-5(6(4)9)12(8,10)11;7-10(8,9)6-4-2-1-3-5-6/h1-3H,(H2,8,10,11);1-5H,(H,7,8,9)