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

Systemtic Name: O-ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarbothioate Openeye Name: O-ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarbothioate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarbothioic acid O-ethyl ester IUPAC Name: O-ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarbothioate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-thiobenzoic acid O-ethyl ester Formula: C16H11ClF3NO4S MolecularWeight: 405.77605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3NO4S/c1-2-24-15(26)11-8-10(4-5-13(11)21(22)23)25-14-6-3-9(7-12(14)17)16(18,19)20/h3-8H,2H2,1H3