4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; citric acid CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C14H19NO10 MolecularWeight: 361.30136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3.C6H8O7/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,10-12H,3-4H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)