2-[2-(tert-butylsulfamoyl)-4-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[2-(tert-butylsulfamoyl)-4-nitro-phenyl]ethanoic acid Openeye Name: 2-[2-(tert-butylsulfamoyl)-4-nitro-phenyl]acetic acid CAS Name: 2-[2-(tert-butylsulfamoyl)-4-nitrophenyl]acetic acid IUPAC Name: 2-[2-(tert-butylsulfamoyl)-4-nitrophenyl]acetic acid Traditional Name: 2-[2-(tert-butylsulfamoyl)-4-nitro-phenyl]acetic acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H16N2O6S/c1-12(2,3)13-21(19,20)10-7-9(14(17)18)5-4-8(10)6-11(15)16/h4-5,7,13H,6H2,1-3H3,(H,15,16)