Molecule ID: 73891

IUPAC Name: (4-nitrophenyl) hexadecanoate

Description: The molecule is a palmitate ester obtained by condensation of the carboxy group of palmitic acid with the phenolic hydroxy group of p-nitrophenol. It is a hexadecanoate ester and a C-nitro compound. It derives from a 4-nitrophenol.

SMILES: CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3

Molecular Properties:
- Polar Surface Area: 72.1 Ų
- LogP: 8.8