methyl 4-bromanyl-2-ethyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-bromanyl-2-ethyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-bromo-2-ethyl-3-methylsulfonyl-benzoate CAS Name: 4-bromo-2-ethyl-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-ethyl-3-methylsulfonylbenzoate Traditional Name: 4-bromo-2-ethyl-3-mesyl-benzoic acid methyl ester Formula: C11H13BrO4S MolecularWeight: 321.18752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)C)Br)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)C)Br)C(=O)OC

InChI

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