(2S)-2-(4-bromanyl-3,5-dimethyl-phenoxy)-3-methyl-butanoate

Systemtic Name: (2S)-2-(4-bromanyl-3,5-dimethyl-phenoxy)-3-methyl-butanoate Openeye Name: (2S)-2-(4-bromo-3,5-dimethyl-phenoxy)-3-methyl-butanoate CAS Name: (2S)-2-(4-bromo-3,5-dimethylphenoxy)-3-methylbutanoate IUPAC Name: (2S)-2-(4-bromo-3,5-dimethylphenoxy)-3-methylbutanoate Traditional Name: (2S)-2-(4-bromo-3,5-dimethyl-phenoxy)-3-methyl-butyrate Formula: C13H16BrO3- MolecularWeight: 300.16834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)O[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C13H17BrO3/c1-7(2)12(13(15)16)17-10-5-8(3)11(14)9(4)6-10/h5-7,12H,1-4H3,(H,15,16)/p-1/t12-/m0/s1