diethyl 2-[4-(4-chlorophenyl)carbonylphenyl]-2-(trifluoromethylsulfanyl)propanedioate

Systemtic Name: diethyl 2-[4-(4-chlorophenyl)carbonylphenyl]-2-(trifluoromethylsulfanyl)propanedioate Openeye Name: diethyl 2-[4-(4-chlorobenzoyl)phenyl]-2-(trifluoromethylsulfanyl)propanedioate CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]phenyl]-2-(trifluoromethylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(4-chlorobenzoyl)phenyl]-2-(trifluoromethylsulfanyl)propanedioate Traditional Name: 2-[4-(4-chlorobenzoyl)phenyl]-2-(trifluoromethylthio)malonic acid diethyl ester Formula: C21H18ClF3O5S MolecularWeight: 474.87783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)(C(=O)OCC)SC(F)(F)F

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)(C(=O)OCC)SC(F)(F)F

InChI

InChI=1S/C21H18ClF3O5S/c1-3-29-18(27)20(19(28)30-4-2,31-21(23,24)25)15-9-5-13(6-10-15)17(26)14-7-11-16(22)12-8-14/h5-12H,3-4H2,1-2H3