5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; tris(2-hydroxyethyl)azanium

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; tris(2-hydroxyethyl)azanium Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; tris(2-hydroxyethyl)ammonium CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate; tris(2-hydroxyethyl)ammonium IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate; tris(2-hydroxyethyl)azanium Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; tris(2-hydroxyethyl)ammonium Formula: C20H22ClF3N2O8 MolecularWeight: 510.84549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-].C(CO)[NH+](CCO)CCO

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-].C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C14H7ClF3NO5.C6H15NO3/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;8-4-1-7(2-5-9)3-6-10/h1-6H,(H,20,21);8-10H,1-6H2