3-(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)propanoic acid

Systemtic Name: 3-(4-bromanyl-2-tert-butyl-5-methyl-phenoxy)propanoic acid Openeye Name: 3-(4-bromo-2-tert-butyl-5-methyl-phenoxy)propanoic acid CAS Name: 3-(4-bromo-2-tert-butyl-5-methylphenoxy)propanoic acid IUPAC Name: 3-(4-bromo-2-tert-butyl-5-methylphenoxy)propanoic acid Traditional Name: 3-(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)OCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrO3/c1-9-7-12(18-6-5-13(16)17)10(8-11(9)15)14(2,3)4/h7-8H,5-6H2,1-4H3,(H,16,17)