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

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

Systemtic Name:4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; dodecanoic acid
Openeye Name:4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; dodecanoic acid
CAS Name:4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; dodecanoic acid
IUPAC Name:4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; dodecanoic acid
Traditional Name:lauric acid; 2-methyl-4,5-dimethylol-pyridin-3-ol
Formula: C44H83NO9
MolecularWeight: 770.13112
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/3C12H24O2.C8H11NO3/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-5-8(12)7(4-11)6(3-10)2-9-5/h3*2-11H2,1H3,(H,13,14);2,10-12H,3-4H2,1H3


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