2-[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]ethanesulfonic acid

Systemtic Name: 2-[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]ethanesulfonic acid Openeye Name: 2-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]ethanesulfonic acid CAS Name: 2-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]ethanesulfonic acid IUPAC Name: 2-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]ethanesulfonic acid Traditional Name: 2-(5-hydroxy-6-methyl-4-methylol-3-pyridyl)ethanesulfonic acid Formula: C9H13NO5S MolecularWeight: 247.26822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CCS(=O)(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CCS(=O)(=O)O

InChI

InChI=1S/C9H13NO5S/c1-6-9(12)8(5-11)7(4-10-6)2-3-16(13,14)15/h4,11-12H,2-3,5H2,1H3,(H,13,14,15)