sodium [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanylphosphonic acid

Systemtic Name: sodium [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methylsulfanylphosphonic acid Openeye Name: sodium [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylsulfanylphosphonic acid CAS Name: sodium [[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthio]phosphonic acid IUPAC Name: sodium [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylsulfanylphosphonic acid Traditional Name: sodium [(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylthio]phosphonic acid Formula: C8H12NNaO5PS+ MolecularWeight: 288.213111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CSP(=O)(O)O.[Na+]

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CSP(=O)(O)O.[Na+]

InChI

InChI=1S/C8H12NO5PS.Na/c1-5-8(11)7(3-10)6(2-9-5)4-16-15(12,13)14;/h2,10-11H,3-4H2,1H3,(H2,12,13,14);/q;+1