E4T
Summary
| Name: | 5-methylcyclohexane-1,1,3,3-tetrol |
| Formula: | C7 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 162.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-methylcyclohexane-1,1,3,3-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H14O4/c1-5-2-6(8,9)4-7(10,11)3-5/h5,8-11H,2-4H2,1H3 |
| InChIKey | InChI | 1.03 | KRXGBFOGDIQPEG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1CC(O)(O)CC(O)(O)C1 |
| SMILES | CACTVS | 3.385 | CC1CC(O)(O)CC(O)(O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1CC(CC(C1)(O)O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CC(CC(C1)(O)O)(O)O |
