Molecule ID: 92136178

IUPAC Name: 2-bis(4-nitrophenoxy)phosphoryloxyethyl-trimethylazanium

Description: The molecule is a member of the class of phosphocholines obtained by formal condensation of the phosphate group of phosphocholine with the phenolic groups of two molecules of 4-nitrophenol. It has a role as a chromogenic compound. It is a member of phosphocholines and a C-nitro compound. It derives from a 4-nitrophenol.

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

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

InChI: InChI=1S/C17H21N3O8P/c1-20(2,3)12-13-26-29(25,27-16-8-4-14(5-9-16)18(21)22)28-17-10-6-15(7-11-17)19(23)24/h4-11H,12-13H2,1-3H3/q+1

Molecular Properties:
- Polar Surface Area: 136.0 Ų
- LogP: 2.9