2-hydroxyethylazanium; 2-nitro-5-[2,4,6-tris(chloranyl)phenoxy]benzoate

Systemtic Name: 2-hydroxyethylazanium; 2-nitro-5-[2,4,6-tris(chloranyl)phenoxy]benzoate Openeye Name: 2-hydroxyethylammonium; 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate CAS Name: 2-hydroxyethylammonium; 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate IUPAC Name: 2-hydroxyethylazanium; 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate Traditional Name: 2-hydroxyethylammonium; 2-nitro-5-(2,4,6-trichlorophenoxy)benzoate Formula: C15H13Cl3N2O6 MolecularWeight: 423.63252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)[O-])[N+](=O)[O-].C(CO)[NH3+]

Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)[O-])[N+](=O)[O-].C(CO)[NH3+]

InChI

InChI=1S/C13H6Cl3NO5.C2H7NO/c14-6-3-9(15)12(10(16)4-6)22-7-1-2-11(17(20)21)8(5-7)13(18)19;3-1-2-4/h1-5H,(H,18,19);4H,1-3H2