(4-bromophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate

Systemtic Name: (4-bromophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate Openeye Name: (4-bromophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfinylacetic acid (4-bromophenyl) ester Formula: C15H9BrF3NO7S2 MolecularWeight: 516.26367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C15H9BrF3NO7S2/c16-9-1-3-10(4-2-9)27-14(21)8-28(24)13-6-5-11(7-12(13)20(22)23)29(25,26)15(17,18)19/h1-7H,8H2