LFI
Summary
| Name: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one |
| Synonyms: | Chemical crosslinker |
| Formula: | C12 H18 Br3 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 492.002 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H18Br3N3O3/c13-4-1-10(19)16-7-17(11(20)2-5-14)9-18(8-16)12(21)3-6-15/h1-9H2 |
| InChIKey | InChI | 1.06 | UYNTZRFVDTZUQI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr |
| SMILES | CACTVS | 3.385 | BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1N(CN(CN1C(=O)CCBr)C(=O)CCBr)C(=O)CCBr |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1N(CN(CN1C(=O)CCBr)C(=O)CCBr)C(=O)CCBr |
