2-(phenylmethylsulfanyl)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 2-(phenylmethylsulfanyl)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2-benzylsulfanylethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(phenylmethylthio)ethyl ester IUPAC Name: 2-benzylsulfanylethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-(benzylthio)ethyl ester Formula: C23H17ClF3NO5S MolecularWeight: 511.89799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCOC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCOC(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H17ClF3NO5S/c24-19-12-16(23(25,26)27)6-9-21(19)33-17-7-8-20(28(30)31)18(13-17)22(29)32-10-11-34-14-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2