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

Systemtic Name: 4-chloranyl-2-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid Openeye Name: 4-chloro-2-nitro-5-(2,2,2-trifluoroethoxy)benzoic acid CAS Name: 4-chloro-2-nitro-5-(2,2,2-trifluoroethoxy)benzoic acid IUPAC Name: 4-chloro-2-nitro-5-(2,2,2-trifluoroethoxy)benzoic acid Traditional Name: 4-chloro-2-nitro-5-(2,2,2-trifluoroethoxy)benzoic acid Formula: C9H5ClF3NO5 MolecularWeight: 299.58791

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1OCC(F)(F)F)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1OCC(F)(F)F)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H5ClF3NO5/c10-5-2-6(14(17)18)4(8(15)16)1-7(5)19-3-9(11,12)13/h1-2H,3H2,(H,15,16)