02B
Summary
| Name: | 4-methoxy-2,3,6-trimethylbenzenesulfonic acid |
| Formula: | C10 H14 O4 S |
| Formal charge: | 0 |
| Formula weight: | 230.281 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-methoxy-2,3,6-trimethylbenzenesulfonic acid |
| OpenEye OEToolkits | 1.7.0 | 4-methoxy-2,3,6-trimethyl-benzenesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c1c(c(c(OC)cc1C)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(C)c(c(C)c1C)[S](O)(=O)=O |
| SMILES | CACTVS | 3.370 | COc1cc(C)c(c(C)c1C)[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(c(c(c1S(=O)(=O)O)C)C)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H14O4S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3,(H,11,12,13) |
| InChIKey | InChI | 1.03 | JDWREWOCOCHHOO-UHFFFAOYSA-N |
