Molecule ID: 44558867

IUPAC Name: dihydrogen phosphate;tris[2-(2-hydroxyethoxy)ethyl]-octadecylazanium

Description: The molecule is a quaternary ammonium salt in which a positively charged nitrogen is substituted by three (omega-hydroxy)poly(oxyethane-1,2-diyl)groups and one stearyl group, the counterion being phosphate. It is commonly used as a constituent of hairsprays. It has a role as a cosmetic and a surfactant. It is a quaternary ammonium salt and a phosphate salt.

SMILES: CCCCCCCCCCCCCCCCCC[N+](CCOCCO)(CCOCCO)CCOCCO.O=P([O-])(O)O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][#Branch1][C][C][O][C][C][O][Branch1][#Branch1][C][C][O][C][C][O][C][C][O][C][C][O].[O][=P][Branch1][C][O-1][Branch1][C][O][O]

InChI: InChI=1S/C30H64NO6.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(19-25-35-28-22-32,20-26-36-29-23-33)21-27-37-30-24-34;1-5(2,3)4/h32-34H,2-30H2,1H3;(H3,1,2,3,4)/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 169.0 Ų
- LogP: nan