4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-methylidenepentanedioate

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-methylidenepentanedioate Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-methylenepentanedioate CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; 2-methylenepentanedioate IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 2-methylidenepentanedioate Traditional Name: 2-methyl-4,5-dimethylol-pyridin-3-ol; 2-methyleneglutarate Formula: C14H17NO7-2 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.C=C(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.C=C(CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H11NO3.C6H8O4/c1-5-8(12)7(4-11)6(3-10)2-9-5;1-4(6(9)10)2-3-5(7)8/h2,10-12H,3-4H2,1H3;1-3H2,(H,7,8)(H,9,10)/p-2