4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-(4-chloranylphenoxy)-2-methyl-propanoic acid Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 2-(4-chlorophenoxy)-2-methyl-propanoic acid CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; 2-(4-chlorophenoxy)-2-methylpropanoic acid IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 2-(4-chlorophenoxy)-2-methylpropanoic acid Traditional Name: 2-(4-chlorophenoxy)-2-methyl-propionic acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C18H22ClNO6 MolecularWeight: 383.82338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H11ClO3.C8H11NO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;1-5-8(12)7(4-11)6(3-10)2-9-5/h3-6H,1-2H3,(H,12,13);2,10-12H,3-4H2,1H3