4-bromanyl-4-(4-chloranylphenoxy)-2-ethyl-2-methyl-3-oxidanylidene-butanoic acid

Systemtic Name: 4-bromanyl-4-(4-chloranylphenoxy)-2-ethyl-2-methyl-3-oxidanylidene-butanoic acid Openeye Name: 4-bromo-4-(4-chlorophenoxy)-2-ethyl-2-methyl-3-oxo-butanoic acid CAS Name: 4-bromo-4-(4-chlorophenoxy)-2-ethyl-2-methyl-3-oxobutanoic acid IUPAC Name: 4-bromo-4-(4-chlorophenoxy)-2-ethyl-2-methyl-3-oxobutanoic acid Traditional Name: 4-bromo-4-(4-chlorophenoxy)-2-ethyl-3-keto-2-methyl-butyric acid Formula: C13H14BrClO4 MolecularWeight: 349.60486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)C(OC1=CC=C(C=C1)Cl)Br)C(=O)O

Isomeric SMILES

CCC(C)(C(=O)C(OC1=CC=C(C=C1)Cl)Br)C(=O)O

InChI

InChI=1S/C13H14BrClO4/c1-3-13(2,12(17)18)10(16)11(14)19-9-6-4-8(15)5-7-9/h4-7,11H,3H2,1-2H3,(H,17,18)