4-(4-bromanyl-3-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid

Systemtic Name: 4-(4-bromanyl-3-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid Openeye Name: 4-(4-bromo-3-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid CAS Name: 4-(4-bromo-3-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid IUPAC Name: 4-(4-bromo-3-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid Traditional Name: 4-(4-bromo-3-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)valeric acid Formula: C14H16BrF3O4 MolecularWeight: 385.17365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrF3O4/c1-12(2,7-13(21,11(19)20)14(16,17)18)8-4-5-9(15)10(6-8)22-3/h4-6,21H,7H2,1-3H3,(H,19,20)