methyl 4-bromanyl-3,5-dimethyl-benzoate

Systemtic Name: methyl 4-bromanyl-3,5-dimethyl-benzoate Openeye Name: methyl 4-bromo-3,5-dimethyl-benzoate CAS Name: 4-bromo-3,5-dimethylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-3,5-dimethylbenzoate Traditional Name: 4-bromo-3,5-dimethyl-benzoic acid methyl ester Formula: C10H11BrO2 MolecularWeight: 243.09714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)C(=O)OC

InChI

InChI=1S/C10H11BrO2/c1-6-4-8(10(12)13-3)5-7(2)9(6)11/h4-5H,1-3H3