6L3
Summary
| Name: | methyl 2,4,6-trimethylbenzoate |
| Formula: | C11 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 178.228 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 2,4,6-trimethylbenzoate |
| OpenEye OEToolkits | 1.7.6 | methyl 2,4,6-trimethylbenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1c(c(cc(c1)C)C)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C11H14O2/c1-7-5-8(2)10(9(3)6-7)11(12)13-4/h5-6H,1-4H3 |
| InChIKey | InChI | 1.03 | PXLABDTXHJPRRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1c(C)cc(C)cc1C |
| SMILES | CACTVS | 3.385 | COC(=O)c1c(C)cc(C)cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(c(c1)C)C(=O)OC)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(c(c1)C)C(=O)OC)C |
