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

Systemtic Name: (2S)-2-(4-bromanyl-2-tert-butyl-6-methyl-phenoxy)propanoic acid Openeye Name: (2S)-2-(4-bromo-2-tert-butyl-6-methyl-phenoxy)propanoic acid CAS Name: (2S)-2-(4-bromo-2-tert-butyl-6-methylphenoxy)propanoic acid IUPAC Name: (2S)-2-(4-bromo-2-tert-butyl-6-methylphenoxy)propanoic acid Traditional Name: (2S)-2-(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(=C1OC(C)C(=O)O)C(C)(C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)O)C(C)(C)C)Br

InChI

InChI=1S/C14H19BrO3/c1-8-6-10(15)7-11(14(3,4)5)12(8)18-9(2)13(16)17/h6-7,9H,1-5H3,(H,16,17)/t9-/m0/s1