MSB
Summary
| Name: | 1-METHYLOXY-4-SULFONE-BENZENE |
| Formula: | C7 H8 O3 S |
| Formal charge: | 0 |
| Formula weight: | 172.202 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-(dioxidosulfanyl)-4-methoxybenzene |
| OpenEye OEToolkits | 1.5.0 | 1-methoxy-4-sulfino-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | 4-(dioxidosulfanyl)phenyl methyl ether |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)[SH](=O)=O |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)[SH](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)S(=O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)S(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H8O3S/c1-10-6-2-4-7(5-3-6)11(8)9/h2-5,11H,1H3 |
| InChIKey | InChI | 1.03 | XUNSZADDFLWFOL-UHFFFAOYSA-N |
