sodium [(2S,3S,4S,5R,6R)-2-methoxy-6-(2-methylprop-2-enoxymethyl)-4-prop-2-enoxy-5-sulfooxy-oxan-3-yl] hydrogen sulfate

Systemtic Name: sodium [(2S,3S,4S,5R,6R)-2-methoxy-6-(2-methylprop-2-enoxymethyl)-4-prop-2-enoxy-5-sulfooxy-oxan-3-yl] hydrogen sulfate Openeye Name: sodium [(2S,3S,4S,5R,6R)-4-allyloxy-2-methoxy-6-(2-methylallyloxymethyl)-5-sulfooxy-tetrahydropyran-3-yl] hydrogen sulfate CAS Name: sodium sulfuric acid [(2S,3S,4S,5R,6R)-2-methoxy-6-(2-methylprop-2-enoxymethyl)-4-prop-2-enoxy-5-sulfooxy-3-oxanyl] ester IUPAC Name: sodium [(2S,3S,4S,5R,6R)-2-methoxy-6-(2-methylprop-2-enoxymethyl)-4-prop-2-enoxy-5-sulfooxyoxan-3-yl] hydrogen sulfate Traditional Name: sodium sulfuric acid [(2S,3S,4S,5R,6R)-4-allyloxy-2-methoxy-6-(2-methylallyloxymethyl)-5-sulfoxy-tetrahydropyran-3-yl] ester Formula: C14H24NaO12S2+ MolecularWeight: 471.45293

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)COCC1C(C(C(C(O1)OC)OS(=O)(=O)O)OCC=C)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CC(=C)COC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OS(=O)(=O)O)OCC=C)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C14H24O12S2.Na/c1-5-6-23-12-11(25-27(15,16)17)10(8-22-7-9(2)3)24-14(21-4)13(12)26-28(18,19)20;/h5,10-14H,1-2,6-8H2,3-4H3,(H,15,16,17)(H,18,19,20);/q;+1/t10-,11-,12+,13+,14+;/m1./s1