2-[4-(dimethylsulfamoyl)-2-nitro-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(dimethylsulfamoyl)-2-nitro-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(dimethylsulfamoyl)-2-nitro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-(dimethylsulfamoyl)-2-nitrophenyl]thio]acetic acid IUPAC Name: 2-[4-(dimethylsulfamoyl)-2-nitrophenyl]sulfanylacetic acid Traditional Name: 2-[[4-(dimethylsulfamoyl)-2-nitro-phenyl]thio]acetic acid Formula: C10H12N2O6S2 MolecularWeight: 320.34208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6S2/c1-11(2)20(17,18)7-3-4-9(19-6-10(13)14)8(5-7)12(15)16/h3-5H,6H2,1-2H3,(H,13,14)