(2-chloranyl-4-nitro-phenyl) 3-sulfamoylbenzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3-sulfamoylbenzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 3-sulfamoylbenzenesulfonate CAS Name: 3-sulfamoylbenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3-sulfamoylbenzenesulfonate Traditional Name: 3-sulfamoylbenzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C12H9ClN2O7S2 MolecularWeight: 392.79206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O7S2/c13-11-6-8(15(16)17)4-5-12(11)22-24(20,21)10-3-1-2-9(7-10)23(14,18)19/h1-7H,(H2,14,18,19)