hexadecanoic acid; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde

Systemtic Name: hexadecanoic acid; 5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridine-4-carbaldehyde Openeye Name: 3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde; palmitic acid CAS Name: hexadecanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde IUPAC Name: hexadecanoic acid; 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde Traditional Name: 3-hydroxy-2-methyl-5-methylol-isonicotinaldehyde; palmitic acid Formula: C24H41NO5 MolecularWeight: 423.58604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H32O2.C8H9NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5-8(12)7(4-11)6(3-10)2-9-5/h2-15H2,1H3,(H,17,18);2,4,10,12H,3H2,1H3