5-(5-bromanyl-2-methoxy-phenyl)-5-methyl-3-oxidanyl-3-(trifluoromethyl)hexanoic acid

Systemtic Name: 5-(5-bromanyl-2-methoxy-phenyl)-5-methyl-3-oxidanyl-3-(trifluoromethyl)hexanoic acid Openeye Name: 5-(5-bromo-2-methoxy-phenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoic acid CAS Name: 5-(5-bromo-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoic acid IUPAC Name: 5-(5-bromo-2-methoxyphenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoic acid Traditional Name: 5-(5-bromo-2-methoxy-phenyl)-3-hydroxy-5-methyl-3-(trifluoromethyl)hexanoic acid Formula: C15H18BrF3O4 MolecularWeight: 399.20023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrF3O4/c1-13(2,10-6-9(16)4-5-11(10)23-3)8-14(22,7-12(20)21)15(17,18)19/h4-6,22H,7-8H2,1-3H3,(H,20,21)