2-[[2-(hydroxymethyl)-5-oxidanylidene-cyclopent-3-en-1-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[2-(hydroxymethyl)-5-oxidanylidene-cyclopent-3-en-1-yl]methylsulfanyl]propanoic acid Openeye Name: 2-[[2-(hydroxymethyl)-5-oxo-cyclopent-3-en-1-yl]methylsulfanyl]propanoic acid CAS Name: 2-[[2-(hydroxymethyl)-5-oxo-1-cyclopent-3-enyl]methylthio]propanoic acid IUPAC Name: 2-[[2-(hydroxymethyl)-5-oxocyclopent-3-en-1-yl]methylsulfanyl]propanoic acid Traditional Name: 2-[(2-keto-5-methylol-cyclopent-3-en-1-yl)methylthio]propionic acid Formula: C10H14O4S MolecularWeight: 230.28076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1C(C=CC1=O)CO

Isomeric SMILES

CC(C(=O)O)SCC1C(C=CC1=O)CO

InChI

InChI=1S/C10H14O4S/c1-6(10(13)14)15-5-8-7(4-11)2-3-9(8)12/h2-3,6-8,11H,4-5H2,1H3,(H,13,14)