methyl 3-bromanyl-2-chloranyl-6-methylsulfonyl-benzoate

Systemtic Name: methyl 3-bromanyl-2-chloranyl-6-methylsulfonyl-benzoate Openeye Name: methyl 3-bromo-2-chloro-6-methylsulfonyl-benzoate CAS Name: 3-bromo-2-chloro-6-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-bromo-2-chloro-6-methylsulfonylbenzoate Traditional Name: 3-bromo-2-chloro-6-mesyl-benzoic acid methyl ester Formula: C9H8BrClO4S MolecularWeight: 327.57942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1Cl)Br)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1Cl)Br)S(=O)(=O)C

InChI

InChI=1S/C9H8BrClO4S/c1-15-9(12)7-6(16(2,13)14)4-3-5(10)8(7)11/h3-4H,1-2H3