2-bromanyl-3-methylsulfonyl-butanoic acid

Systemtic Name: 2-bromanyl-3-methylsulfonyl-butanoic acid Openeye Name: 2-bromo-3-methylsulfonyl-butanoic acid CAS Name: 2-bromo-3-methylsulfonylbutanoic acid IUPAC Name: 2-bromo-3-methylsulfonylbutanoic acid Traditional Name: 2-bromo-3-mesyl-butyric acid Formula: C5H9BrO4S MolecularWeight: 245.09156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H9BrO4S/c1-3(11(2,9)10)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)