(2S)-2-(4-bromanyl-2,3,6-trimethyl-phenoxy)-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-(4-bromanyl-2,3,6-trimethyl-phenoxy)-2-phenyl-ethanoic acid Openeye Name: (2S)-2-(4-bromo-2,3,6-trimethyl-phenoxy)-2-phenyl-acetic acid CAS Name: (2S)-2-(4-bromo-2,3,6-trimethylphenoxy)-2-phenylacetic acid IUPAC Name: (2S)-2-(4-bromo-2,3,6-trimethylphenoxy)-2-phenylacetic acid Traditional Name: (2S)-2-(4-bromo-2,3,6-trimethyl-phenoxy)-2-phenyl-acetic acid Formula: C17H17BrO3 MolecularWeight: 349.21908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC(C2=CC=CC=C2)C(=O)O)C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1O[C@@H](C2=CC=CC=C2)C(=O)O)C)C)Br

InChI

InChI=1S/C17H17BrO3/c1-10-9-14(18)11(2)12(3)15(10)21-16(17(19)20)13-7-5-4-6-8-13/h4-9,16H,1-3H3,(H,19,20)/t16-/m0/s1