4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 9,10,16-tris(oxidanyl)hexadecanoic acid

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 9,10,16-tris(oxidanyl)hexadecanoic acid Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; 9,10,16-trihydroxyhexadecanoic acid CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; 9,10,16-trihydroxyhexadecanoic acid IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; 9,10,16-trihydroxyhexadecanoic acid Traditional Name: 2-methyl-4,5-dimethylol-pyridin-3-ol; 9,10,16-trihydroxypalmitic acid Formula: C24H43NO8 MolecularWeight: 473.60012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O

InChI

InChI=1S/C16H32O5.C8H11NO3/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21;1-5-8(12)7(4-11)6(3-10)2-9-5/h14-15,17-19H,1-13H2,(H,20,21);2,10-12H,3-4H2,1H3