methyl (E,2S,3S)-2-oxidanyl-6-phenylmethoxy-3-(trifluoromethyl)hex-4-enoate

Systemtic Name: methyl (E,2S,3S)-2-oxidanyl-6-phenylmethoxy-3-(trifluoromethyl)hex-4-enoate Openeye Name: methyl (E,2S,3S)-6-benzyloxy-2-hydroxy-3-(trifluoromethyl)hex-4-enoate CAS Name: (E,2S,3S)-2-hydroxy-6-phenylmethoxy-3-(trifluoromethyl)-4-hexenoic acid methyl ester IUPAC Name: methyl (E,2S,3S)-2-hydroxy-6-phenylmethoxy-3-(trifluoromethyl)hex-4-enoate Traditional Name: (E,2S,3S)-6-benzoxy-2-hydroxy-3-(trifluoromethyl)hex-4-enoic acid methyl ester Formula: C15H17F3O4 MolecularWeight: 318.28829

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C=CCOCC1=CC=CC=C1)C(F)(F)F)O

Isomeric SMILES

COC(=O)[C@H]([C@H](/C=C/COCC1=CC=CC=C1)C(F)(F)F)O

InChI

InChI=1S/C15H17F3O4/c1-21-14(20)13(19)12(15(16,17)18)8-5-9-22-10-11-6-3-2-4-7-11/h2-8,12-13,19H,9-10H2,1H3/b8-5+/t12-,13-/m0/s1