DAQ
Summary
| Name: | O,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE |
| Formula: | C9 H12 Be F3 N3 O11 P2 |
| Formal charge: | 0 |
| Formula weight: | 466.16 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | [[3-[(2,4-dinitrophenyl)amino]propoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trifluoro-beryllium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P@](=O)(OCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O[P@@](O)(=O)O[Be](F)(F)F |
| SMILES | CACTVS | 3.341 | O[P](=O)(OCCCNc1ccc(cc1[N+]([O-])=O)[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)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | [Be](OP(=O)(O)OP(=O)(O)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C9H13N3O11P2.Be.3FH/c13-11(14)7-2-3-8(9(6-7)12(15)16)10-4-1-5-22-25(20,21)23-24(17,18)19;;;;/h2-3,6,10H,1,4-5H2,(H,20,21)(H2,17,18,19);;3*1H/q;+4;;;/p-4 |
| InChIKey | InChI | 1.03 | UUXVZUKSMSCFOH-UHFFFAOYSA-J |
