3-(4-bromanyl-2-ethyl-phenoxy)-2,2-dimethyl-propanoate

Systemtic Name: 3-(4-bromanyl-2-ethyl-phenoxy)-2,2-dimethyl-propanoate Openeye Name: 3-(4-bromo-2-ethyl-phenoxy)-2,2-dimethyl-propanoate CAS Name: 3-(4-bromo-2-ethylphenoxy)-2,2-dimethylpropanoate IUPAC Name: 3-(4-bromo-2-ethylphenoxy)-2,2-dimethylpropanoate Traditional Name: 3-(4-bromo-2-ethyl-phenoxy)-2,2-dimethyl-propionate Formula: C13H16BrO3- MolecularWeight: 300.16834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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