3-(2-bromanyl-4,6-ditert-butyl-phenoxy)propanoic acid

Systemtic Name: 3-(2-bromanyl-4,6-ditert-butyl-phenoxy)propanoic acid Openeye Name: 3-(2-bromo-4,6-ditert-butyl-phenoxy)propanoic acid CAS Name: 3-(2-bromo-4,6-ditert-butylphenoxy)propanoic acid IUPAC Name: 3-(2-bromo-4,6-ditert-butylphenoxy)propanoic acid Traditional Name: 3-(2-bromo-4,6-ditert-butyl-phenoxy)propionic acid Formula: C17H25BrO3 MolecularWeight: 357.2826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrO3/c1-16(2,3)11-9-12(17(4,5)6)15(13(18)10-11)21-8-7-14(19)20/h9-10H,7-8H2,1-6H3,(H,19,20)