4-(4-bromanyl-2,5-dimethyl-phenoxy)butanoate

Systemtic Name: 4-(4-bromanyl-2,5-dimethyl-phenoxy)butanoate Openeye Name: 4-(4-bromo-2,5-dimethyl-phenoxy)butanoate CAS Name: 4-(4-bromo-2,5-dimethylphenoxy)butanoate IUPAC Name: 4-(4-bromo-2,5-dimethylphenoxy)butanoate Traditional Name: 4-(4-bromo-2,5-dimethyl-phenoxy)butyrate Formula: C12H14BrO3- MolecularWeight: 286.14176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)OCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)OCCCC(=O)[O-]

InChI

InChI=1S/C12H15BrO3/c1-8-7-11(9(2)6-10(8)13)16-5-3-4-12(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)/p-1