(4-nitrophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylethanoate

Systemtic Name: (4-nitrophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylethanoate Openeye Name: (4-nitrophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-nitrophenyl) ester Formula: C15H9F3N2O7S MolecularWeight: 418.30137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H9F3N2O7S/c16-15(17,18)9-1-6-13(12(7-9)20(24)25)28(26)8-14(21)27-11-4-2-10(3-5-11)19(22)23/h1-7H,8H2