3-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)propanoic acid

Systemtic Name: 3-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)propanoic acid Openeye Name: 3-(4-bromo-2-tert-butyl-6-methyl-phenoxy)propanoic acid CAS Name: 3-(4-bromo-2-tert-butyl-6-methylphenoxy)propanoic acid IUPAC Name: 3-(4-bromo-2-tert-butyl-6-methylphenoxy)propanoic acid Traditional Name: 3-(4-bromo-2-tert-butyl-6-methyl-phenoxy)propionic acid Formula: C14H19BrO3 MolecularWeight: 315.20286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCC(=O)O)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCCC(=O)O)C(C)(C)C)Br

InChI

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