(2R)-2-(4-bromanyl-2-ethyl-phenoxy)-3-methyl-butanoate

Systemtic Name: (2R)-2-(4-bromanyl-2-ethyl-phenoxy)-3-methyl-butanoate Openeye Name: (2R)-2-(4-bromo-2-ethyl-phenoxy)-3-methyl-butanoate CAS Name: (2R)-2-(4-bromo-2-ethylphenoxy)-3-methylbutanoate IUPAC Name: (2R)-2-(4-bromo-2-ethylphenoxy)-3-methylbutanoate Traditional Name: (2R)-2-(4-bromo-2-ethyl-phenoxy)-3-methyl-butyrate Formula: C13H16BrO3- MolecularWeight: 300.16834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OC(C(C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)O[C@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C13H17BrO3/c1-4-9-7-10(14)5-6-11(9)17-12(8(2)3)13(15)16/h5-8,12H,4H2,1-3H3,(H,15,16)/p-1/t12-/m1/s1