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

Systemtic Name: (4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate hydrate Openeye Name: (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate hydrate CAS Name: (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate hydrate IUPAC Name: (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate hydrate Traditional Name: (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate hydrate Formula: C8H12NO7P MolecularWeight: 265.157141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10NO6P.H2O/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;/h2-3,11H,4H2,1H3,(H2,12,13,14);1H2