4-(4-bromanyl-2-ethyl-phenoxy)butanoate

Systemtic Name: 4-(4-bromanyl-2-ethyl-phenoxy)butanoate Openeye Name: 4-(4-bromo-2-ethyl-phenoxy)butanoate CAS Name: 4-(4-bromo-2-ethylphenoxy)butanoate IUPAC Name: 4-(4-bromo-2-ethylphenoxy)butanoate Traditional Name: 4-(4-bromo-2-ethyl-phenoxy)butyrate Formula: C12H14BrO3- MolecularWeight: 286.14176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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