DAE
Summary
| Name: | O,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-BERYLLIUM TRIFLUORIDE |
| Formula: | C8 H10 Be F3 N3 O11 P2 |
| Formal charge: | -1 |
| Formula weight: | 452.133 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | [[2-[(2,4-dinitrophenyl)amino]ethoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-trifluoro-beryllium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | O[P@](=O)(OCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)O[P@@](O)(=O)O[Be-](F)(F)F |
| SMILES | CACTVS | 3.341 | O[P](=O)(OCCNc1ccc(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)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | [Be-](OP(=O)(O)OP(=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O11P2.Be.3FH/c12-10(13)6-1-2-7(8(5-6)11(14)15)9-3-4-21-24(19,20)22-23(16,17)18;;;;/h1-2,5,9H,3-4H2,(H,19,20)(H2,16,17,18);;3*1H/q;+3;;;/p-4 |
| InChIKey | InChI | 1.03 | IMRRDTRILVVTCO-UHFFFAOYSA-J |
