VWD
Summary
| Name: | (1R)-2-(methylsulfonyl)-1-phenylethan-1-ol |
| Formula: | C9 H12 O3 S |
| Formal charge: | 0 |
| Formula weight: | 200.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-2-(methylsulfonyl)-1-phenylethan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-2-methylsulfonyl-1-phenyl-ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(C(CS(C)(=O)=O)O)ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | FVZQEVNJWREWHU-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)C[C@H](O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)C[CH](O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)C[C@@H](c1ccccc1)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)CC(c1ccccc1)O |
