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

Systemtic Name: 3-(4-bromanyl-2-tert-butyl-phenoxy)propanoic acid Openeye Name: 3-(4-bromo-2-tert-butyl-phenoxy)propanoic acid CAS Name: 3-(4-bromo-2-tert-butylphenoxy)propanoic acid IUPAC Name: 3-(4-bromo-2-tert-butylphenoxy)propanoic acid Traditional Name: 3-(4-bromo-2-tert-butyl-phenoxy)propionic acid Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCCC(=O)O

InChI

InChI=1S/C13H17BrO3/c1-13(2,3)10-8-9(14)4-5-11(10)17-7-6-12(15)16/h4-5,8H,6-7H2,1-3H3,(H,15,16)