sodium [(2R,3S,4R)-4-methoxy-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate

Systemtic Name: sodium [(2R,3S,4R)-4-methoxy-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate Openeye Name: sodium [(2R,3S,4R)-4-methoxy-2-(sulfooxymethyl)tetrahydropyran-3-yl] hydrogen sulfate CAS Name: sodium sulfuric acid [(2R,3S,4R)-4-methoxy-2-(sulfooxymethyl)-3-oxanyl] ester IUPAC Name: sodium [(2R,3S,4R)-4-methoxy-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid [(2R,3S,4R)-4-methoxy-2-(sulfoxymethyl)tetrahydropyran-3-yl] ester Formula: C7H14NaO10S2+ MolecularWeight: 345.29983

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCOC(C1OS(=O)(=O)O)COS(=O)(=O)O.[Na+]

Isomeric SMILES

CO[C@@H]1CCO[C@@H]([C@H]1OS(=O)(=O)O)COS(=O)(=O)O.[Na+]

InChI

InChI=1S/C7H14O10S2.Na/c1-14-5-2-3-15-6(4-16-18(8,9)10)7(5)17-19(11,12)13;/h5-7H,2-4H2,1H3,(H,8,9,10)(H,11,12,13);/q;+1/t5-,6-,7+;/m1./s1