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

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; octanoic acid Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; octanoic acid CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; octanoic acid IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; octanoic acid Traditional Name: caprylic acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C24H43NO7 MolecularWeight: 457.60072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3.2C8H16O2/c1-5-8(12)7(4-11)6(3-10)2-9-5;2*1-2-3-4-5-6-7-8(9)10/h2,10-12H,3-4H2,1H3;2*2-7H2,1H3,(H,9,10)