4-(2-bromanyl-4-ethyl-phenoxy)butanoic acid

Systemtic Name: 4-(2-bromanyl-4-ethyl-phenoxy)butanoic acid Openeye Name: 4-(2-bromo-4-ethyl-phenoxy)butanoic acid CAS Name: 4-(2-bromo-4-ethylphenoxy)butanoic acid IUPAC Name: 4-(2-bromo-4-ethylphenoxy)butanoic acid Traditional Name: 4-(2-bromo-4-ethyl-phenoxy)butyric acid Formula: C12H15BrO3 MolecularWeight: 287.1497

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)O)Br

InChI

InChI=1S/C12H15BrO3/c1-2-9-5-6-11(10(13)8-9)16-7-3-4-12(14)15/h5-6,8H,2-4,7H2,1H3,(H,14,15)