4-chloranyl-3-(dimethylsulfamoyl)-5-nitro-benzoic acid

Systemtic Name: 4-chloranyl-3-(dimethylsulfamoyl)-5-nitro-benzoic acid Openeye Name: 4-chloro-3-(dimethylsulfamoyl)-5-nitro-benzoic acid CAS Name: 4-chloro-3-(dimethylsulfamoyl)-5-nitrobenzoic acid IUPAC Name: 4-chloro-3-(dimethylsulfamoyl)-5-nitrobenzoic acid Traditional Name: 4-chloro-3-(dimethylsulfamoyl)-5-nitro-benzoic acid Formula: C9H9ClN2O6S MolecularWeight: 308.69556

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=CC(=C1Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=CC(=C1Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H9ClN2O6S/c1-11(2)19(17,18)7-4-5(9(13)14)3-6(8(7)10)12(15)16/h3-4H,1-2H3,(H,13,14)