propyl 2-[2-methylsulfanyl-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate

Systemtic Name: propyl 2-[2-methylsulfanyl-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate Openeye Name: propyl 2-[2-methylsulfanyl-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate CAS Name: 2-[2-(methylthio)-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid propyl ester IUPAC Name: propyl 2-[2-methylsulfanyl-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]propanoate Traditional Name: 2-[2-(methylthio)-5-[2-nitro-4-(trifluoromethyl)phenoxy]phenoxy]propionic acid propyl ester Formula: C20H20F3NO6S MolecularWeight: 459.43611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])SC

Isomeric SMILES

CCCOC(=O)C(C)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])SC

InChI

InChI=1S/C20H20F3NO6S/c1-4-9-28-19(25)12(2)29-17-11-14(6-8-18(17)31-3)30-16-7-5-13(20(21,22)23)10-15(16)24(26)27/h5-8,10-12H,4,9H2,1-3H3