[5-(hydroxymethyl)-4-methanoyl-2-methyl-pyridin-3-yl] hydrogen sulfate

Systemtic Name: [5-(hydroxymethyl)-4-methanoyl-2-methyl-pyridin-3-yl] hydrogen sulfate Openeye Name: [4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridyl] hydrogen sulfate CAS Name: sulfuric acid [4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [4-formyl-5-(hydroxymethyl)-2-methylpyridin-3-yl] hydrogen sulfate Traditional Name: sulfuric acid (4-formyl-2-methyl-5-methylol-3-pyridyl) ester Formula: C8H9NO6S MolecularWeight: 247.22516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OS(=O)(=O)O)C=O)CO

Isomeric SMILES

CC1=NC=C(C(=C1OS(=O)(=O)O)C=O)CO

InChI

InChI=1S/C8H9NO6S/c1-5-8(15-16(12,13)14)7(4-11)6(3-10)2-9-5/h2,4,10H,3H2,1H3,(H,12,13,14)