sodium [(2R,3R,4R,5S,6S)-5-ethoxy-2-methoxy-6-methyl-3-sulfooxy-oxan-4-yl] hydrogen sulfate

Systemtic Name: sodium [(2R,3R,4R,5S,6S)-5-ethoxy-2-methoxy-6-methyl-3-sulfooxy-oxan-4-yl] hydrogen sulfate Openeye Name: sodium [(2R,3R,4R,5S,6S)-5-ethoxy-2-methoxy-6-methyl-3-sulfooxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sodium sulfuric acid [(2R,3R,4R,5S,6S)-5-ethoxy-2-methoxy-6-methyl-3-sulfooxy-4-oxanyl] ester IUPAC Name: sodium [(2R,3R,4R,5S,6S)-5-ethoxy-2-methoxy-6-methyl-3-sulfooxyoxan-4-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid [(2R,3R,4R,5S,6S)-5-ethoxy-2-methoxy-6-methyl-3-sulfoxy-tetrahydropyran-4-yl] ester Formula: C9H18NaO11S2+ MolecularWeight: 389.35239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(OC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC)C.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C9H18O11S2.Na/c1-4-17-6-5(2)18-9(16-3)8(20-22(13,14)15)7(6)19-21(10,11)12;/h5-9H,4H2,1-3H3,(H,10,11,12)(H,13,14,15);/q;+1/t5-,6-,7+,8+,9+;/m0./s1