S65
Summary
| Name: | heptachlor endo-epoxide |
| Synonyms: | (1aR,1bR,5aS,6R,6aR)-2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene |
| Formula: | C10 H5 Cl7 O |
| Formal charge: | 0 |
| Formula weight: | 389.317 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/m0/s1 |
| InChIKey | InChI | 1.03 | ZXFXBSWRVIQKOD-WOBUKFROSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cl[C@H]1[C@@H]2O[C@@H]2[C@H]3[C@@H]1[C@@]4(Cl)C(=C(Cl)[C@]3(Cl)C4(Cl)Cl)Cl |
| SMILES | CACTVS | 3.385 | Cl[CH]1[CH]2O[CH]2[CH]3[CH]1[C]4(Cl)C(=C(Cl)[C]3(Cl)C4(Cl)Cl)Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl |
