[4-(hydroxymethyl)-5-methylsulfanyl-3-oxidanyl-pyridin-2-yl] methyl sulfate

Systemtic Name: [4-(hydroxymethyl)-5-methylsulfanyl-3-oxidanyl-pyridin-2-yl] methyl sulfate Openeye Name: [3-hydroxy-4-(hydroxymethyl)-5-methylsulfanyl-2-pyridyl] methyl sulfate CAS Name: sulfuric acid [3-hydroxy-4-(hydroxymethyl)-5-(methylthio)-2-pyridinyl] methyl ester IUPAC Name: [3-hydroxy-4-(hydroxymethyl)-5-methylsulfanylpyridin-2-yl] methyl sulfate Traditional Name: sulfuric acid [3-hydroxy-4-methylol-5-(methylthio)-2-pyridyl] methyl ester Formula: C8H11NO6S2 MolecularWeight: 281.30604

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)OC1=NC=C(C(=C1O)CO)SC

Isomeric SMILES

COS(=O)(=O)OC1=NC=C(C(=C1O)CO)SC

InChI

InChI=1S/C8H11NO6S2/c1-14-17(12,13)15-8-7(11)5(4-10)6(16-2)3-9-8/h3,10-11H,4H2,1-2H3