2-phenylpropanoyl 2-(2-chloroethyl)-1-oxidanyl-4-(trifluoromethyl)cyclohexane-1-carboxylate

Systemtic Name: 2-phenylpropanoyl 2-(2-chloroethyl)-1-oxidanyl-4-(trifluoromethyl)cyclohexane-1-carboxylate Openeye Name: 2-phenylpropanoyl 2-(2-chloroethyl)-1-hydroxy-4-(trifluoromethyl)cyclohexanecarboxylate CAS Name: 2-(2-chloroethyl)-1-hydroxy-4-(trifluoromethyl)-1-cyclohexanecarboxylic acid (1-oxo-2-phenylpropyl) ester IUPAC Name: 2-phenylpropanoyl 2-(2-chloroethyl)-1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylate Traditional Name: 2-(2-chloroethyl)-1-hydroxy-4-(trifluoromethyl)cyclohexanecarboxylic acid hydratropoyl ester Formula: C19H22ClF3O4 MolecularWeight: 406.82379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)OC(=O)C2(CCC(CC2CCCl)C(F)(F)F)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)OC(=O)C2(CCC(CC2CCCl)C(F)(F)F)O

InChI

InChI=1S/C19H22ClF3O4/c1-12(13-5-3-2-4-6-13)16(24)27-17(25)18(26)9-7-15(19(21,22)23)11-14(18)8-10-20/h2-6,12,14-15,26H,7-11H2,1H3