3-(2-bromanyl-4-ethyl-phenoxy)-2,2-dimethyl-propanoic acid

Systemtic Name: 3-(2-bromanyl-4-ethyl-phenoxy)-2,2-dimethyl-propanoic acid Openeye Name: 3-(2-bromo-4-ethyl-phenoxy)-2,2-dimethyl-propanoic acid CAS Name: 3-(2-bromo-4-ethylphenoxy)-2,2-dimethylpropanoic acid IUPAC Name: 3-(2-bromo-4-ethylphenoxy)-2,2-dimethylpropanoic acid Traditional Name: 3-(2-bromo-4-ethyl-phenoxy)-2,2-dimethyl-propionic acid Formula: C13H17BrO3 MolecularWeight: 301.17628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(C)(C)C(=O)O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(C)(C)C(=O)O)Br

InChI

InChI=1S/C13H17BrO3/c1-4-9-5-6-11(10(14)7-9)17-8-13(2,3)12(15)16/h5-7H,4,8H2,1-3H3,(H,15,16)