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

Systemtic Name: O-(2-hydroxyethyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarbothioate Openeye Name: O-(2-hydroxyethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzenecarbothioate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarbothioic acid O-(2-hydroxyethyl) ester IUPAC Name: O-(2-hydroxyethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzenecarbothioate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-thiobenzoic acid O-(2-hydroxyethyl) ester Formula: C16H11ClF3NO5S MolecularWeight: 421.77545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=S)OCCO

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=S)OCCO

InChI

InChI=1S/C16H11ClF3NO5S/c17-12-7-9(16(18,19)20)1-4-14(12)26-10-2-3-13(21(23)24)11(8-10)15(27)25-6-5-22/h1-4,7-8,22H,5-6H2