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

Systemtic Name: sodium 2-[[6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methylsulfanyl]-2-phenyl-ethanoate Openeye Name: sodium 2-phenyl-2-[(3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl)methylsulfanyl]acetate CAS Name: sodium 2-phenyl-2-[(3,4,5-trihydroxy-6-methoxy-2-oxanyl)methylthio]acetate IUPAC Name: sodium 2-phenyl-2-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methylsulfanyl]acetate Traditional Name: sodium 2-phenyl-2-[(3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-yl)methylthio]acetate Formula: C15H19NaO7S MolecularWeight: 366.36193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CSC(C2=CC=CC=C2)C(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

COC1C(C(C(C(O1)CSC(C2=CC=CC=C2)C(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C15H20O7S.Na/c1-21-15-12(18)11(17)10(16)9(22-15)7-23-13(14(19)20)8-5-3-2-4-6-8;/h2-6,9-13,15-18H,7H2,1H3,(H,19,20);/q;+1/p-1