(phenylmethyl) 4-[2,3,6-tris(fluoranyl)-4-nitro-5-oxidanyl-phenoxy]benzoate

Systemtic Name: (phenylmethyl) 4-[2,3,6-tris(fluoranyl)-4-nitro-5-oxidanyl-phenoxy]benzoate Openeye Name: benzyl 4-(2,3,6-trifluoro-5-hydroxy-4-nitro-phenoxy)benzoate CAS Name: 4-(2,3,6-trifluoro-5-hydroxy-4-nitrophenoxy)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2,3,6-trifluoro-5-hydroxy-4-nitrophenoxy)benzoate Traditional Name: 4-(2,3,6-trifluoro-5-hydroxy-4-nitro-phenoxy)benzoic acid benzyl ester Formula: C20H12F3NO6 MolecularWeight: 419.30759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC3=C(C(=C(C(=C3F)F)[N+](=O)[O-])O)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC3=C(C(=C(C(=C3F)F)[N+](=O)[O-])O)F

InChI

InChI=1S/C20H12F3NO6/c21-14-15(22)19(16(23)18(25)17(14)24(27)28)30-13-8-6-12(7-9-13)20(26)29-10-11-4-2-1-3-5-11/h1-9,25H,10H2