A1BA2
Summary
| Name: | (6R)-3,4-dichloro-6-hydroxycyclohex-3-en-1-one |
| Formula: | C6 H6 Cl2 O2 |
| Formal charge: | 0 |
| Formula weight: | 181.017 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6R)-3,4-dichloro-6-hydroxycyclohex-3-en-1-one |
| OpenEye OEToolkits | 2.0.7 | (6~{R})-3,4-bis(chloranyl)-6-oxidanyl-cyclohex-3-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | ClC=1CC(=O)C(O)CC=1Cl |
| InChI | InChI | 1.06 | InChI=1S/C6H6Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h5,9H,1-2H2/t5-/m1/s1 |
| InChIKey | InChI | 1.06 | UPFPMVWORXIWOQ-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CC(=C(Cl)CC1=O)Cl |
| SMILES | CACTVS | 3.385 | O[CH]1CC(=C(Cl)CC1=O)Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H](C(=O)CC(=C1Cl)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(=O)CC(=C1Cl)Cl)O |
