hexadecanoic acid; 4-[(4-hydroxyphenyl)-pyridin-2-yl-methyl]phenol

Systemtic Name: hexadecanoic acid; 4-[(4-hydroxyphenyl)-pyridin-2-yl-methyl]phenol Openeye Name: 4-[(4-hydroxyphenyl)-(2-pyridyl)methyl]phenol; palmitic acid CAS Name: hexadecanoic acid; 4-[(4-hydroxyphenyl)-(2-pyridinyl)methyl]phenol IUPAC Name: hexadecanoic acid; 4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol Traditional Name: 4-[(4-hydroxyphenyl)-(2-pyridyl)methyl]phenol; palmitic acid Formula: C50H79NO6 MolecularWeight: 790.16536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.C1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H15NO2.2C16H32O2/c20-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(21)11-7-14;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1-12,18,20-21H;2*2-15H2,1H3,(H,17,18)