(2S)-2-(4-bromanyl-2,3,6-trimethyl-phenoxy)propanoic acid

Systemtic Name: (2S)-2-(4-bromanyl-2,3,6-trimethyl-phenoxy)propanoic acid Openeye Name: (2S)-2-(4-bromo-2,3,6-trimethyl-phenoxy)propanoic acid CAS Name: (2S)-2-(4-bromo-2,3,6-trimethylphenoxy)propanoic acid IUPAC Name: (2S)-2-(4-bromo-2,3,6-trimethylphenoxy)propanoic acid Traditional Name: (2S)-2-(4-bromo-2,3,6-trimethyl-phenoxy)propionic acid Formula: C12H15BrO3 MolecularWeight: 287.1497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC(C)C(=O)O)C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1O[C@@H](C)C(=O)O)C)C)Br

InChI

InChI=1S/C12H15BrO3/c1-6-5-10(13)7(2)8(3)11(6)16-9(4)12(14)15/h5,9H,1-4H3,(H,14,15)/t9-/m0/s1