2-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)ethanoic acid

Systemtic Name: 2-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)ethanoic acid Openeye Name: 2-(4-bromo-2-tert-butyl-6-methyl-phenoxy)acetic acid CAS Name: 2-(4-bromo-2-tert-butyl-6-methylphenoxy)acetic acid IUPAC Name: 2-(4-bromo-2-tert-butyl-6-methylphenoxy)acetic acid Traditional Name: 2-(4-bromo-2-tert-butyl-6-methyl-phenoxy)acetic acid Formula: C13H17BrO3 MolecularWeight: 301.17628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)O)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)O)C(C)(C)C)Br

InChI

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