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

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

Systemtic Name:4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; hexadecanoic acid
Openeye Name:4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; palmitic acid
CAS Name:4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; hexadecanoic acid
IUPAC Name:4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; hexadecanoic acid
Traditional Name:2-methyl-4,5-dimethylol-pyridin-3-ol; palmitic acid
Formula: C56H107NO9
MolecularWeight: 938.45008
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/3C16H32O2.C8H11NO3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5-8(12)7(4-11)6(3-10)2-9-5/h3*2-15H2,1H3,(H,17,18);2,10-12H,3-4H2,1H3


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