4-nitrophenol; (4-nitrophenyl) 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-nitrophenol; (4-nitrophenyl) 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-nitrophenol; (4-nitrophenyl) 2,2,2-trifluoroacetate CAS Name: 4-nitrophenol; 2,2,2-trifluoroacetic acid (4-nitrophenyl) ester IUPAC Name: 4-nitrophenol; (4-nitrophenyl) 2,2,2-trifluoroacetate Traditional Name: 4-nitrophenol; 2,2,2-trifluoroacetic acid (4-nitrophenyl) ester Formula: C14H9F3N2O7 MolecularWeight: 374.22567

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])O.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])O.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(F)(F)F

InChI

InChI=1S/C8H4F3NO4.C6H5NO3/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15;8-6-3-1-5(2-4-6)7(9)10/h1-4H;1-4,8H