SML
Summary
| Name: | PHENYL METHYL SULFONE |
| Formula: | C7 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 156.202 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (methylsulfonyl)benzene |
| OpenEye OEToolkits | 1.5.0 | methylsulfonylbenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | methyl phenyl sulfone |
| SMILES_CANONICAL | CACTVS | 3.341 | C[S](=O)(=O)c1ccccc1 |
| SMILES | CACTVS | 3.341 | C[S](=O)(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CS(=O)(=O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | InChI | 1.03 | JCDWETOKTFWTHA-UHFFFAOYSA-N |
