4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-[2-(dioxidanyl)-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-[2-(dioxidanyl)-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-(2-hydroperoxy-2-oxo-ethyl)-2-hydroxy-butanedioate CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioate IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioate Traditional Name: 2-(2-hydroperoxy-2-keto-ethyl)-2-hydroxy-succinate; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C14H17NO11-2 MolecularWeight: 375.28488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3.C6H8O8/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-3(8)1-6(12,5(10)11)2-4(9)14-13/h2,10-12H,3-4H2,1H3;12-13H,1-2H2,(H,7,8)(H,10,11)/p-2