hexadecanoic acid; 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid

Systemtic Name: hexadecanoic acid; 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid Openeye Name: 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid; palmitic acid CAS Name: hexadecanoic acid; 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid IUPAC Name: hexadecanoic acid; 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid Traditional Name: 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid; palmitic acid Formula: C22H42N2O4 MolecularWeight: 398.57988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)O.CC1=NCCC(N1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O.CC1=NCCC(N1)C(=O)O

InChI

InChI=1S/C16H32O2.C6H10N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-4-7-3-2-5(8-4)6(9)10/h2-15H2,1H3,(H,17,18);5H,2-3H2,1H3,(H,7,8)(H,9,10)