ethyl 5-(4-chlorophenyl)-2-(trifluoromethylsulfonyl)heptanoate

Systemtic Name: ethyl 5-(4-chlorophenyl)-2-(trifluoromethylsulfonyl)heptanoate Openeye Name: ethyl 5-(4-chlorophenyl)-2-(trifluoromethylsulfonyl)heptanoate CAS Name: 5-(4-chlorophenyl)-2-(trifluoromethylsulfonyl)heptanoic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-2-(trifluoromethylsulfonyl)heptanoate Traditional Name: 5-(4-chlorophenyl)-2-triflyl-enanthic acid ethyl ester Formula: C16H20ClF3O4S MolecularWeight: 400.84081

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C(=O)OCC)S(=O)(=O)C(F)(F)F)C1=CC=C(C=C1)Cl

Isomeric SMILES

CCC(CCC(C(=O)OCC)S(=O)(=O)C(F)(F)F)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H20ClF3O4S/c1-3-11(12-5-8-13(17)9-6-12)7-10-14(15(21)24-4-2)25(22,23)16(18,19)20/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3