2-methylsulfanylethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate

Systemtic Name: 2-methylsulfanylethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanoate Openeye Name: 2-methylsulfanylethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetic acid 2-(methylthio)ethyl ester Formula: C18H15ClF3NO5S MolecularWeight: 449.82861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCOC(=O)CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClF3NO5S/c1-29-7-6-27-17(24)9-11-8-13(3-4-15(11)23(25)26)28-16-5-2-12(10-14(16)19)18(20,21)22/h2-5,8,10H,6-7,9H2,1H3