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

Systemtic Name: sodium 2-[[6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methylsulfanyl]-4-oxidanyl-butanoate Openeye Name: sodium 4-hydroxy-2-[(3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl)methylsulfanyl]butanoate CAS Name: sodium 4-hydroxy-2-[(3,4,5-trihydroxy-6-methoxy-2-oxanyl)methylthio]butanoate IUPAC Name: sodium 4-hydroxy-2-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methylsulfanyl]butanoate Traditional Name: sodium 4-hydroxy-2-[(3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl)methylthio]butyrate Formula: C11H19NaO8S MolecularWeight: 334.31853

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CSC(CCO)C(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

COC1C(C(C(C(O1)CSC(CCO)C(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C11H20O8S.Na/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);/q;+1/p-1