PJD
Summary
| Name: | 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene |
| Formula: | C8 H8 Cl2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 239.119 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene |
| OpenEye OEToolkits | 2.0.6 | 1,3-bis(chloranyl)-2-(methylsulfonylmethyl)benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(cccc1Cl)Cl)CS(C)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H8Cl2O2S/c1-13(11,12)5-6-7(9)3-2-4-8(6)10/h2-4H,5H2,1H3 |
| InChIKey | InChI | 1.03 | YQGFLUVOLNGRET-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Cc1c(Cl)cccc1Cl |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Cc1c(Cl)cccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)Cc1c(cccc1Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CS(=O)(=O)Cc1c(cccc1Cl)Cl |
