(4-ethanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate

Systemtic Name: (4-ethanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate Openeye Name: (4-acetyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate CAS Name: (4-acetyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate IUPAC Name: (4-acetyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate Traditional Name: (4-acetyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate Formula: C9H12NO6P MolecularWeight: 261.168441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO6P/c1-5-9(12)8(6(2)11)7(3-10-5)4-16-17(13,14)15/h3,12H,4H2,1-2H3,(H2,13,14,15)