IKF
Summary
| Name: | phenylsulfinylmethylbenzene |
| Formula: | C13 H12 O S |
| Formal charge: | 0 |
| Formula weight: | 216.299 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | phenylsulfinylmethylbenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2/t15-/m0/s1 |
| InChIKey | InChI | 1.06 | FBPGAWABXWMRAR-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=[S@@](Cc1ccccc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O=[S](Cc1ccccc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CS(=O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CS(=O)c2ccccc2 |
