methyl 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: methyl 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: methyl 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-methylsulfinyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid methyl ester Formula: C16H12F3NO6S MolecularWeight: 403.32979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)S(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)S(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3NO6S/c1-25-15(21)11-8-10(4-5-12(11)20(22)23)26-13-6-3-9(16(17,18)19)7-14(13)27(2)24/h3-8H,1-2H3