5-(2,2-dimethylpropanoylsulfanylmethyl)thiolane-3-carboxylic acid

Systemtic Name: 5-(2,2-dimethylpropanoylsulfanylmethyl)thiolane-3-carboxylic acid Openeye Name: 5-(2,2-dimethylpropanoylsulfanylmethyl)tetrahydrothiophene-3-carboxylic acid CAS Name: 5-[[(2,2-dimethyl-1-oxopropyl)thio]methyl]-3-thiolanecarboxylic acid IUPAC Name: 5-(2,2-dimethylpropanoylsulfanylmethyl)thiolane-3-carboxylic acid Traditional Name: 5-[(pivaloylthio)methyl]tetrahydrothiophene-3-carboxylic acid Formula: C11H18O3S2 MolecularWeight: 262.38882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SCC1CC(CS1)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)SCC1CC(CS1)C(=O)O

InChI

InChI=1S/C11H18O3S2/c1-11(2,3)10(14)16-6-8-4-7(5-15-8)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)