A1I1D
Summary
| Name: | 1-[4,7-bis(2-chloranylethanoyl)-1,4,7-triazonan-1-yl]-2-chloranyl-ethanone |
| Formula: | C12 H18 Cl3 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 358.649 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4,7-bis(2-chloranylethanoyl)-1,4,7-triazonan-1-yl]-2-chloranyl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H18Cl3N3O3/c13-7-10(19)16-1-2-17(11(20)8-14)5-6-18(4-3-16)12(21)9-15/h1-9H2 |
| InChIKey | InChI | 1.06 | VITRFBWOHICMMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1CCN(CCN(CC1)C(=O)CCl)C(=O)CCl |
| SMILES | CACTVS | 3.385 | ClCC(=O)N1CCN(CCN(CC1)C(=O)CCl)C(=O)CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CN(CCN(CCN1C(=O)CCl)C(=O)CCl)C(=O)CCl |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CN(CCN(CCN1C(=O)CCl)C(=O)CCl)C(=O)CCl |
