2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(5-hydroxy-4-oxo-2-pyranyl)methylthio]propanoic acid IUPAC Name: 2-[(5-hydroxy-4-oxopyran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(5-hydroxy-4-keto-pyran-2-yl)methylthio]propionic acid Formula: C9H10O5S MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(=O)C(=CO1)O

Isomeric SMILES

CC(C(=O)O)SCC1=CC(=O)C(=CO1)O

InChI

InChI=1S/C9H10O5S/c1-5(9(12)13)15-4-6-2-7(10)8(11)3-14-6/h2-3,5,11H,4H2,1H3,(H,12,13)