27E
Summary
| Name: | chlordecone |
| Synonyms: | (1R,3aR,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one |
| Formula: | C10 Cl10 O |
| Formal charge: | 0 |
| Formula weight: | 490.636 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,3aR,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C1(Cl)C3(Cl)C5(Cl)C1(Cl)C4(Cl)C2(Cl)C3(Cl)C4(Cl)C5(Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/t2-,3+,4-,5+,6+,7-,8+,9- |
| InChIKey | InChI | 1.03 | LHHGDZSESBACKH-RCJZDJILSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClC1(Cl)C2(Cl)[C@]3(Cl)C4(Cl)C(=O)C5(Cl)[C@]3(Cl)C1(Cl)[C@@]5(Cl)[C@@]24Cl |
| SMILES | CACTVS | 3.385 | ClC1(Cl)C2(Cl)[C]3(Cl)C4(Cl)C(=O)C5(Cl)[C]3(Cl)C1(Cl)[C]5(Cl)[C]24Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
