PNQ
Summary
| Name: | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE |
| Formula: | C8 H11 Be F3 N2 O9 P2 |
| Formal charge: | 0 |
| Formula weight: | 407.136 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | trifluoro-[hydroxy-[hydroxy-[2-[(4-nitrophenyl)amino]ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P@](=O)(OCCNc1ccc(cc1)[N+]([O-])=O)O[P@@](O)(=O)O[Be](F)(F)F |
| SMILES | CACTVS | 3.341 | O[P](=O)(OCCNc1ccc(cc1)[N+]([O-])=O)O[P](O)(=O)O[Be](F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | [Be](OP(=O)(O)OP(=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-3-1-7(2-4-8)9-5-6-18-21(16,17)19-20(13,14)15;;;;/h1-4,9H,5-6H2,(H,16,17)(H2,13,14,15);;3*1H/q;+4;;;/p-4 |
| InChIKey | InChI | 1.03 | VQFXKFKMXDVHLH-UHFFFAOYSA-J |
