2-[(4-methoxy-6-oxidanylidene-pyran-2-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-methoxy-6-oxidanylidene-pyran-2-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-methoxy-6-oxo-pyran-2-yl)methylsulfanyl]acetic acid CAS Name: 2-[(4-methoxy-6-oxo-2-pyranyl)methylthio]acetic acid IUPAC Name: 2-[(4-methoxy-6-oxopyran-2-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(6-keto-4-methoxy-pyran-2-yl)methylthio]acetic acid Formula: C9H10O5S MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)OC(=C1)CSCC(=O)O

Isomeric SMILES

COC1=CC(=O)OC(=C1)CSCC(=O)O

InChI

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