(2S)-2-(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)propanoic acid

Systemtic Name: (2S)-2-(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)propanoic acid Openeye Name: (2S)-2-(4-bromo-2-tert-butyl-5-methyl-phenoxy)propanoic acid CAS Name: (2S)-2-(4-bromo-2-tert-butyl-5-methylphenoxy)propanoic acid IUPAC Name: (2S)-2-(4-bromo-2-tert-butyl-5-methylphenoxy)propanoic acid Traditional Name: (2S)-2-(4-bromo-2-tert-butyl-5-methyl-phenoxy)propionic acid Formula: C14H19BrO3 MolecularWeight: 315.20286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)(C)C)OC(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)(C)C)O[C@@H](C)C(=O)O

InChI

InChI=1S/C14H19BrO3/c1-8-6-12(18-9(2)13(16)17)10(7-11(8)15)14(3,4)5/h6-7,9H,1-5H3,(H,16,17)/t9-/m0/s1