methyl (2S)-4-(4-methoxyphenyl)-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate

Systemtic Name: methyl (2S)-4-(4-methoxyphenyl)-2-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)butanoate Openeye Name: methyl (2S)-2-hydroxy-4-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)butanoate CAS Name: (2S)-2-hydroxy-4-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-hydroxy-4-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)butanoate Traditional Name: (2S)-2-hydroxy-4-keto-4-(4-methoxyphenyl)-2-(trifluoromethyl)butyric acid methyl ester Formula: C13H13F3O5 MolecularWeight: 306.23453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[C@](C(=O)OC)(C(F)(F)F)O

InChI

InChI=1S/C13H13F3O5/c1-20-9-5-3-8(4-6-9)10(17)7-12(19,11(18)21-2)13(14,15)16/h3-6,19H,7H2,1-2H3/t12-/m0/s1