(phenylmethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: benzyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid benzyl ester Formula: C16H12F3NO4S MolecularWeight: 371.33099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3NO4S/c17-16(18,19)12-6-7-14(13(8-12)20(22)23)25-10-15(21)24-9-11-4-2-1-3-5-11/h1-8H,9-10H2