3-bromanyl-2,6-dimethyl-benzoate

Systemtic Name: 3-bromanyl-2,6-dimethyl-benzoate Openeye Name: 3-bromo-2,6-dimethyl-benzoate CAS Name: 3-bromo-2,6-dimethylbenzoate IUPAC Name: 3-bromo-2,6-dimethylbenzoate Traditional Name: 3-bromo-2,6-dimethyl-benzoate Formula: C9H8BrO2- MolecularWeight: 228.06262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Br)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)Br)C)C(=O)[O-]

InChI

InChI=1S/C9H9BrO2/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)/p-1