[4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-yl] dodecanoate

Systemtic Name: [4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-yl] dodecanoate Openeye Name: [4,5-bis(hydroxymethyl)-2-methyl-3-pyridyl] dodecanoate CAS Name: dodecanoic acid [4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [4,5-bis(hydroxymethyl)-2-methylpyridin-3-yl] dodecanoate Traditional Name: lauric acid (2-methyl-4,5-dimethylol-3-pyridyl) ester Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=C(C(=CN=C1C)CO)CO

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=C(C(=CN=C1C)CO)CO

InChI

InChI=1S/C20H33NO4/c1-3-4-5-6-7-8-9-10-11-12-19(24)25-20-16(2)21-13-17(14-22)18(20)15-23/h13,22-23H,3-12,14-15H2,1-2H3