3-nitro-5-sulfamoyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid

Systemtic Name: 3-nitro-5-sulfamoyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid Openeye Name: 3-nitro-5-sulfamoyl-4-(2,2,2-trifluoroethoxy)benzoic acid CAS Name: 3-nitro-5-sulfamoyl-4-(2,2,2-trifluoroethoxy)benzoic acid IUPAC Name: 3-nitro-5-sulfamoyl-4-(2,2,2-trifluoroethoxy)benzoic acid Traditional Name: 3-nitro-5-sulfamoyl-4-(2,2,2-trifluoroethoxy)benzoic acid Formula: C9H7F3N2O7S MolecularWeight: 344.22129

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])OCC(F)(F)F)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])OCC(F)(F)F)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C9H7F3N2O7S/c10-9(11,12)3-21-7-5(14(17)18)1-4(8(15)16)2-6(7)22(13,19)20/h1-2H,3H2,(H,15,16)(H2,13,19,20)