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

Systemtic Name: 2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]acetic acid CAS Name: 2-[(5-hydroxy-4-oxo-2-pyranyl)methylthio]acetic acid IUPAC Name: 2-[(5-hydroxy-4-oxopyran-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(5-hydroxy-4-keto-pyran-2-yl)methylthio]acetic acid Formula: C8H8O5S MolecularWeight: 216.21112

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC=C(C1=O)O)CSCC(=O)O

Isomeric SMILES

C1=C(OC=C(C1=O)O)CSCC(=O)O

InChI

InChI=1S/C8H8O5S/c9-6-1-5(13-2-7(6)10)3-14-4-8(11)12/h1-2,10H,3-4H2,(H,11,12)