methyl 4-bromanyl-2-ethyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-bromanyl-2-ethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-bromo-2-ethyl-5-methylsulfonyl-benzoate CAS Name: 4-bromo-2-ethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-ethyl-5-methylsulfonylbenzoate Traditional Name: 4-bromo-2-ethyl-5-mesyl-benzoic acid methyl ester Formula: C11H13BrO4S MolecularWeight: 321.18752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)Br

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)Br

InChI

InChI=1S/C11H13BrO4S/c1-4-7-5-9(12)10(17(3,14)15)6-8(7)11(13)16-2/h5-6H,4H2,1-3H3