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

Systemtic Name: O-ethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioate Openeye Name: O-ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethanethioic acid O-ethyl ester IUPAC Name: O-ethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]ethanethioate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanethioic acid O-ethyl ester Formula: C17H13ClF3NO4S MolecularWeight: 419.80263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClF3NO4S/c1-2-25-16(27)8-10-7-12(4-5-14(10)22(23)24)26-15-6-3-11(9-13(15)18)17(19,20)21/h3-7,9H,2,8H2,1H3