methyl (E,2S,3R)-2-oxidanyl-7-phenylmethoxy-3-(trifluoromethyl)hept-4-enoate

Systemtic Name: methyl (E,2S,3R)-2-oxidanyl-7-phenylmethoxy-3-(trifluoromethyl)hept-4-enoate Openeye Name: methyl (E,2S,3R)-7-benzyloxy-2-hydroxy-3-(trifluoromethyl)hept-4-enoate CAS Name: (E,2S,3R)-2-hydroxy-7-phenylmethoxy-3-(trifluoromethyl)-4-heptenoic acid methyl ester IUPAC Name: methyl (E,2S,3R)-2-hydroxy-7-phenylmethoxy-3-(trifluoromethyl)hept-4-enoate Traditional Name: (E,2S,3R)-7-benzoxy-2-hydroxy-3-(trifluoromethyl)hept-4-enoic acid methyl ester Formula: C16H19F3O4 MolecularWeight: 332.31487

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C=CCCOCC1=CC=CC=C1)C(F)(F)F)O

Isomeric SMILES

COC(=O)[C@H]([C@@H](/C=C/CCOCC1=CC=CC=C1)C(F)(F)F)O

InChI

InChI=1S/C16H19F3O4/c1-22-15(21)14(20)13(16(17,18)19)9-5-6-10-23-11-12-7-3-2-4-8-12/h2-5,7-9,13-14,20H,6,10-11H2,1H3/b9-5+/t13-,14+/m1/s1