sodium; dihydrogen phosphate; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde

Systemtic Name: sodium; dihydrogen phosphate; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde Openeye Name: sodium; dihydrogen phosphate; 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde CAS Name: sodium; dihydrogen phosphate; 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde IUPAC Name: sodium; dihydrogen phosphate; 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde Traditional Name: sodium; dihydrogen phosphate; 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde Formula: C8H11NNaO7P MolecularWeight: 287.138971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO3.Na.H3O4P/c1-5-8(12)7(4-11)6(3-10)2-9-5;;1-5(2,3)4/h2,4,10,12H,3H2,1H3;;(H3,1,2,3,4)/q;+1;/p-1