ethyl 5-nitro-2-[4-(trifluoromethylsulfanyl)phenoxy]benzoate

Systemtic Name: ethyl 5-nitro-2-[4-(trifluoromethylsulfanyl)phenoxy]benzoate Openeye Name: ethyl 5-nitro-2-[4-(trifluoromethylsulfanyl)phenoxy]benzoate CAS Name: 5-nitro-2-[4-(trifluoromethylthio)phenoxy]benzoic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[4-(trifluoromethylsulfanyl)phenoxy]benzoate Traditional Name: 5-nitro-2-[4-(trifluoromethylthio)phenoxy]benzoic acid ethyl ester Formula: C16H12F3NO5S MolecularWeight: 387.33039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12F3NO5S/c1-2-24-15(21)13-9-10(20(22)23)3-8-14(13)25-11-4-6-12(7-5-11)26-16(17,18)19/h3-9H,2H2,1H3