(2R)-2-[4-(diethylsulfamoyl)-2-nitro-phenoxy]propanoic acid

Systemtic Name: (2R)-2-[4-(diethylsulfamoyl)-2-nitro-phenoxy]propanoic acid Openeye Name: (2R)-2-[4-(diethylsulfamoyl)-2-nitro-phenoxy]propanoic acid CAS Name: (2R)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]propanoic acid IUPAC Name: (2R)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]propanoic acid Traditional Name: (2R)-2-[4-(diethylsulfamoyl)-2-nitro-phenoxy]propionic acid Formula: C13H18N2O7S MolecularWeight: 346.35622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC(C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O[C@H](C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O7S/c1-4-14(5-2)23(20,21)10-6-7-12(11(8-10)15(18)19)22-9(3)13(16)17/h6-9H,4-5H2,1-3H3,(H,16,17)/t9-/m1/s1