5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; sulfuric acid

Systemtic Name: 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde; sulfuric acid Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde; sulfuric acid CAS Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; sulfuric acid IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde; sulfuric acid Traditional Name: 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde; sulfuric acid Formula: C8H11NO7S MolecularWeight: 265.24044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=O)CO.OS(=O)(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C=O)CO.OS(=O)(=O)O

InChI

InChI=1S/C8H9NO3.H2O4S/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-5(2,3)4/h2,4,10,12H,3H2,1H3;(H2,1,2,3,4)