4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-hydroxy-2-phenyl-acetic acid CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; 2-hydroxy-2-phenylacetic acid IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 2-hydroxy-2-phenylacetic acid Traditional Name: madelic acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C16H19NO6 MolecularWeight: 321.32516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C8H11NO3.C8H8O3/c1-5-8(12)7(4-11)6(3-10)2-9-5;9-7(8(10)11)6-4-2-1-3-5-6/h2,10-12H,3-4H2,1H3;1-5,7,9H,(H,10,11)