ILW
Summary
| Name: | 1,3,5-trimethoxybenzene |
| Formula: | C9 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 168.19 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,3,5-trimethoxybenzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3 |
| InChIKey | InChI | 1.06 | LKUDPHPHKOZXCD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)cc(OC)c1 |
| SMILES | CACTVS | 3.385 | COc1cc(OC)cc(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)OC |
