2-[[2-(hydroxymethyl)-5-oxidanylidene-cyclopenten-1-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[2-(hydroxymethyl)-5-oxidanylidene-cyclopenten-1-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[2-(hydroxymethyl)-5-oxo-cyclopenten-1-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[2-(hydroxymethyl)-5-oxo-1-cyclopentenyl]methylthio]propanoic acid IUPAC Name: 2-[[2-(hydroxymethyl)-5-oxocyclopenten-1-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[(5-keto-2-methylol-cyclopenten-1-yl)methylthio]propionic acid Formula: C10H14O4S MolecularWeight: 230.28076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=C(CCC1=O)CO

Isomeric SMILES

CC(C(=O)O)SCC1=C(CCC1=O)CO

InChI

InChI=1S/C10H14O4S/c1-6(10(13)14)15-5-8-7(4-11)2-3-9(8)12/h6,11H,2-5H2,1H3,(H,13,14)