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

Systemtic Name: 3-(4-bromanyl-3-methyl-phenoxy)-2,2-dimethyl-propanoic acid Openeye Name: 3-(4-bromo-3-methyl-phenoxy)-2,2-dimethyl-propanoic acid CAS Name: 3-(4-bromo-3-methylphenoxy)-2,2-dimethylpropanoic acid IUPAC Name: 3-(4-bromo-3-methylphenoxy)-2,2-dimethylpropanoic acid Traditional Name: 3-(4-bromo-3-methyl-phenoxy)-2,2-dimethyl-propionic acid Formula: C12H15BrO3 MolecularWeight: 287.1497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C)(C)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(C)(C)C(=O)O)Br

InChI

InChI=1S/C12H15BrO3/c1-8-6-9(4-5-10(8)13)16-7-12(2,3)11(14)15/h4-6H,7H2,1-3H3,(H,14,15)