3-oxidanylidene-2-sulfanyl-2-(sulfonylmethyl)pentanoic acid

Systemtic Name: 3-oxidanylidene-2-sulfanyl-2-(sulfonylmethyl)pentanoic acid Openeye Name: 3-oxo-2-sulfanyl-2-(sulfonylmethyl)pentanoic acid CAS Name: 2-mercapto-3-oxo-2-(sulfonylmethyl)pentanoic acid IUPAC Name: 3-oxo-2-sulfanyl-2-(sulfonylmethyl)pentanoic acid Traditional Name: 3-keto-2-mercapto-2-(sulfonylmethyl)valeric acid Formula: C6H8O5S2 MolecularWeight: 224.25472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C=S(=O)=O)(C(=O)O)S

Isomeric SMILES

CCC(=O)C(C=S(=O)=O)(C(=O)O)S

InChI

InChI=1S/C6H8O5S2/c1-2-4(7)6(12,5(8)9)3-13(10)11/h3,12H,2H2,1H3,(H,8,9)