methyl 2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoate

Systemtic Name: methyl 2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoate Openeye Name: methyl 2-(4-bromo-2-tert-butyl-phenoxy)acetate CAS Name: 2-(4-bromo-2-tert-butylphenoxy)acetic acid methyl ester IUPAC Name: methyl 2-(4-bromo-2-tert-butylphenoxy)acetate Traditional Name: 2-(4-bromo-2-tert-butyl-phenoxy)acetic acid methyl ester Formula: C13H17BrO3 MolecularWeight: 301.17628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)OC

InChI

InChI=1S/C13H17BrO3/c1-13(2,3)10-7-9(14)5-6-11(10)17-8-12(15)16-4/h5-7H,8H2,1-4H3