3-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(5-hydroxy-4-oxo-2-pyranyl)methylthio]propanoic acid IUPAC Name: 3-[(5-hydroxy-4-oxopyran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(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:

C1=C(OC=C(C1=O)O)CSCCC(=O)O

Isomeric SMILES

C1=C(OC=C(C1=O)O)CSCCC(=O)O

InChI

InChI=1S/C9H10O5S/c10-7-3-6(14-4-8(7)11)5-15-2-1-9(12)13/h3-4,11H,1-2,5H2,(H,12,13)