Molecule ID: 57040622

IUPAC Name: (4-nitrophenoxy)-oxo-phenoxyphosphanium

Description: The molecule is an aryl phosphate resulting from the formal condensation of phosphonic acid with 1 mol eq. each of phenol and 4-nitrophenol. It has a role as a chromogenic compound. It derives from a phenol and a 4-nitrophenol.

SMILES: O=[N+]([O-])c1ccc(O[P+](=O)Oc2ccccc2)cc1

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

InChI: InChI=1S/C12H9NO5P/c14-13(15)10-6-8-12(9-7-10)18-19(16)17-11-4-2-1-3-5-11/h1-9H/q+1

Molecular Properties:
- Polar Surface Area: 81.4 Ų
- LogP: 3.5