2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]methyl]-4-trimethylsilyl-butanethioate

Systemtic Name: 2-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]methyl]-4-trimethylsilyl-butanethioate Openeye Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]methyl]-4-trimethylsilyl-butanethioate CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]methyl]-4-trimethylsilylbutanethioate IUPAC Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]methyl]-4-trimethylsilylbutanethioate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzyl]-4-trimethylsilyl-thiobutyrate Formula: C21H22ClF3NO4SSi- MolecularWeight: 505.00239

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)CCC(CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])C(=S)[O-]

Isomeric SMILES

C[Si](C)(C)CCC(CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])C(=S)[O-]

InChI

InChI=1S/C21H23ClF3NO4SSi/c1-32(2,3)9-8-13(20(27)31)10-14-11-16(5-6-18(14)26(28)29)30-19-7-4-15(12-17(19)22)21(23,24)25/h4-7,11-13H,8-10H2,1-3H3,(H,27,31)/p-1