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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClF3NO5S/c1-2-29-10-27-17(24)8-11-7-13(4-5-15(11)23(25)26)28-16-6-3-12(9-14(16)19)18(20,21)22/h3-7,9H,2,8,10H2,1H3