2-[[6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methylsulfanyl]-4-oxidanyl-butanoic acid

Systemtic Name: 2-[[6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methylsulfanyl]-4-oxidanyl-butanoic acid Openeye Name: 4-hydroxy-2-[(3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl)methylsulfanyl]butanoic acid CAS Name: 4-hydroxy-2-[(3,4,5-trihydroxy-6-methoxy-2-oxanyl)methylthio]butanoic acid IUPAC Name: 4-hydroxy-2-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methylsulfanyl]butanoic acid Traditional Name: 4-hydroxy-2-[(3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl)methylthio]butyric acid Formula: C11H20O8S MolecularWeight: 312.3367

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CSC(CCO)C(=O)O)O)O)O

Isomeric SMILES

COC1C(C(C(C(O1)CSC(CCO)C(=O)O)O)O)O

InChI

InChI=1S/C11H20O8S/c1-18-11-9(15)8(14)7(13)5(19-11)4-20-6(2-3-12)10(16)17/h5-9,11-15H,2-4H2,1H3,(H,16,17)