(4-nitrophenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate

Systemtic Name: (4-nitrophenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate Openeye Name: (4-nitrophenyl) 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonate CAS Name: 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(dimethylsulfamoyl)-2-nitrobenzenesulfonate Traditional Name: 4-(dimethylsulfamoyl)-2-nitro-benzenesulfonic acid (4-nitrophenyl) ester Formula: C14H13N3O9S2 MolecularWeight: 431.39772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O9S2/c1-15(2)27(22,23)12-7-8-14(13(9-12)17(20)21)28(24,25)26-11-5-3-10(4-6-11)16(18)19/h3-9H,1-2H3