methyl 3-bromanyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 3-bromanyl-5-methylsulfonyl-benzoate Openeye Name: methyl 3-bromo-5-methylsulfonyl-benzoate CAS Name: 3-bromo-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-5-methylsulfonylbenzoate Traditional Name: 3-bromo-5-mesyl-benzoic acid methyl ester Formula: C9H9BrO4S MolecularWeight: 293.13436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)Br)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)Br)S(=O)(=O)C

InChI

InChI=1S/C9H9BrO4S/c1-14-9(11)6-3-7(10)5-8(4-6)15(2,12)13/h3-5H,1-2H3