Obsolete: TOS
Summary
| Name: | P-SULFINOTOLUENE |
| 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 | 4-methylbenzenesulfinic acid |
| OpenEye OEToolkits | 1.5.0 | 4-methylbenzenesulfinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(O)c1ccc(cc1)C |
| InChI | InChI | 1.03 | InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9) |
| InChIKey | InChI | 1.03 | FXJVNINSOKCNJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | Cc1ccc(cc1)[S@@](=O)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | Cc1ccc(cc1)S(=O)O |
