3-methyl-2-methylsulfonyl-3-oxidanyl-butanoic acid

Systemtic Name: 3-methyl-2-methylsulfonyl-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-3-methyl-2-methylsulfonyl-butanoic acid CAS Name: 3-hydroxy-3-methyl-2-methylsulfonylbutanoic acid IUPAC Name: 3-hydroxy-3-methyl-2-methylsulfonylbutanoic acid Traditional Name: 3-hydroxy-2-mesyl-3-methyl-butyric acid Formula: C6H12O5S MolecularWeight: 196.22148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O5S/c1-6(2,9)4(5(7)8)12(3,10)11/h4,9H,1-3H3,(H,7,8)