(2S)-2-(4-bromanyl-2,6-dimethyl-phenoxy)-3-methyl-butanoate

Systemtic Name: (2S)-2-(4-bromanyl-2,6-dimethyl-phenoxy)-3-methyl-butanoate Openeye Name: (2S)-2-(4-bromo-2,6-dimethyl-phenoxy)-3-methyl-butanoate CAS Name: (2S)-2-(4-bromo-2,6-dimethylphenoxy)-3-methylbutanoate IUPAC Name: (2S)-2-(4-bromo-2,6-dimethylphenoxy)-3-methylbutanoate Traditional Name: (2S)-2-(4-bromo-2,6-dimethyl-phenoxy)-3-methyl-butyrate Formula: C13H16BrO3- MolecularWeight: 300.16834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C(C)C)C(=O)[O-])C)Br

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrO3/c1-7(2)11(13(15)16)17-12-8(3)5-10(14)6-9(12)4/h5-7,11H,1-4H3,(H,15,16)/p-1/t11-/m0/s1