2-[(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(3-hydroxy-5-oxo-cyclopenten-1-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(3-hydroxy-5-oxo-1-cyclopentenyl)methylthio]propanoic acid IUPAC Name: 2-[(3-hydroxy-5-oxocyclopenten-1-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(3-hydroxy-5-keto-cyclopenten-1-yl)methylthio]propionic acid Formula: C9H12O4S MolecularWeight: 216.25418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(CC1=O)O

Isomeric SMILES

CC(C(=O)O)SCC1=CC(CC1=O)O

InChI

InChI=1S/C9H12O4S/c1-5(9(12)13)14-4-6-2-7(10)3-8(6)11/h2,5,7,10H,3-4H2,1H3,(H,12,13)