ethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfanylethanoate Openeye Name: ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]thio]acetic acid ethyl ester Formula: C17H13ClF3NO5S MolecularWeight: 435.80203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClF3NO5S/c1-2-26-16(23)9-28-15-8-11(4-5-13(15)22(24)25)27-14-6-3-10(7-12(14)18)17(19,20)21/h3-8H,2,9H2,1H3