tert-butyl (4S,5S)-4-methyl-5-oxidanyl-3-oxidanylidene-5-[4-(trifluoromethyl)phenyl]pentanoate

Systemtic Name: tert-butyl (4S,5S)-4-methyl-5-oxidanyl-3-oxidanylidene-5-[4-(trifluoromethyl)phenyl]pentanoate Openeye Name: tert-butyl (4S,5S)-5-hydroxy-4-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]pentanoate CAS Name: (4S,5S)-5-hydroxy-4-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5S)-5-hydroxy-4-methyl-3-oxo-5-[4-(trifluoromethyl)phenyl]pentanoate Traditional Name: (4S,5S)-5-hydroxy-3-keto-4-methyl-5-[4-(trifluoromethyl)phenyl]valeric acid tert-butyl ester Formula: C17H21F3O4 MolecularWeight: 346.34145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)C(F)(F)F)O)C(=O)CC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=C(C=C1)C(F)(F)F)O)C(=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C17H21F3O4/c1-10(13(21)9-14(22)24-16(2,3)4)15(23)11-5-7-12(8-6-11)17(18,19)20/h5-8,10,15,23H,9H2,1-4H3/t10-,15+/m1/s1