methyl (3R)-5-(5-bromanyl-2-methoxy-phenyl)-5-methyl-3-oxidanyl-3-(trifluoromethyl)hexanoate

Systemtic Name: methyl (3R)-5-(5-bromanyl-2-methoxy-phenyl)-5-methyl-3-oxidanyl-3-(trifluoromethyl)hexanoate Openeye Name: methyl (3R)-5-(5-bromo-2-methoxy-phenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate CAS Name: (3R)-5-(5-bromo-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoic acid methyl ester IUPAC Name: methyl (3R)-5-(5-bromo-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoate Traditional Name: (3R)-5-(5-bromo-2-methoxy-phenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoic acid methyl ester Formula: C16H20BrF3O4 MolecularWeight: 413.22681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrF3O4/c1-14(2,11-7-10(17)5-6-12(11)23-3)9-15(22,16(18,19)20)8-13(21)24-4/h5-7,22H,8-9H2,1-4H3/t15-/m0/s1