3-(4-bromanyl-2,5-dimethyl-phenoxy)propanoate

Systemtic Name: 3-(4-bromanyl-2,5-dimethyl-phenoxy)propanoate Openeye Name: 3-(4-bromo-2,5-dimethyl-phenoxy)propanoate CAS Name: 3-(4-bromo-2,5-dimethylphenoxy)propanoate IUPAC Name: 3-(4-bromo-2,5-dimethylphenoxy)propanoate Traditional Name: 3-(4-bromo-2,5-dimethyl-phenoxy)propionate Formula: C11H12BrO3- MolecularWeight: 272.11518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrO3/c1-7-6-10(8(2)5-9(7)12)15-4-3-11(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)/p-1