4-trimethylsilylbutyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfanylethanoate

Systemtic Name: 4-trimethylsilylbutyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfanylethanoate Openeye Name: 4-trimethylsilylbutyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfanylacetate CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]thio]acetic acid 4-trimethylsilylbutyl ester IUPAC Name: 4-trimethylsilylbutyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]sulfanylacetate Traditional Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]thio]acetic acid 4-trimethylsilylbutyl ester Formula: C22H25ClF3NO5SSi MolecularWeight: 536.03631

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)CCCCOC(=O)CSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C[Si](C)(C)CCCCOC(=O)CSC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H25ClF3NO5SSi/c1-34(2,3)11-5-4-10-31-21(28)14-33-20-13-16(7-8-18(20)27(29)30)32-19-9-6-15(12-17(19)23)22(24,25)26/h6-9,12-13H,4-5,10-11,14H2,1-3H3