ENH
Summary
| Name: | 1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE |
| Formula: | C10 H5 Cl6 N O2 |
| Formal charge: | 0 |
| Formula weight: | 383.87 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3aR,4S,7R,7aS)-4,5,6,7,8,8-hexachloro-2-methyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC1=C(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C2C(=O)N(C(=O)C23)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)[C@@H]2[C@H](C1=O)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl |
| SMILES | CACTVS | 3.341 | CN1C(=O)[CH]2[CH](C1=O)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H5Cl6NO2/c1-17-6(18)2-3(7(17)19)9(14)5(12)4(11)8(2,13)10(9,15)16/h2-3H,1H3/t2-,3+,8+,9- |
| InChIKey | InChI | 1.03 | DKILHSLDAKXHHE-ASQNABRVSA-N |
