3-(3-chloranyl-2-nitro-6-sulfamoyl-phenyl)benzenesulfonic acid

Systemtic Name: 3-(3-chloranyl-2-nitro-6-sulfamoyl-phenyl)benzenesulfonic acid Openeye Name: 3-(3-chloro-2-nitro-6-sulfamoyl-phenyl)benzenesulfonic acid CAS Name: 3-(3-chloro-2-nitro-6-sulfamoylphenyl)benzenesulfonic acid IUPAC Name: 3-(3-chloro-2-nitro-6-sulfamoylphenyl)benzenesulfonic acid Traditional Name: 3-(3-chloro-2-nitro-6-sulfamoyl-phenyl)besylic acid Formula: C12H9ClN2O7S2 MolecularWeight: 392.79206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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