2-methyl-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-methyl-4-methylsulfonyl-butanoic acid Openeye Name: 2-methyl-4-methylsulfonyl-butanoic acid CAS Name: 2-methyl-4-methylsulfonylbutanoic acid IUPAC Name: 2-methyl-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-methyl-butyric acid Formula: C6H12O4S MolecularWeight: 180.22208

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C6H12O4S/c1-5(6(7)8)3-4-11(2,9)10/h5H,3-4H2,1-2H3,(H,7,8)