(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl hydrogen sulfate

Systemtic Name: (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl hydrogen sulfate Openeye Name: (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl hydrogen sulfate CAS Name: sulfuric acid (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl ester IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl hydrogen sulfate Traditional Name: sulfuric acid (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl ester Formula: C8H9NO6S MolecularWeight: 247.22516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)COS(=O)(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)COS(=O)(=O)O

InChI

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