PBL
Summary
| Name: | pentane-2,2,4,4-tetrol |
| Formula: | C5 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 136.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pentane-2,2,4,4-tetrol |
| OpenEye OEToolkits | 1.7.0 | pentane-2,2,4,4-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(O)(C)CC(O)(O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(O)(O)CC(C)(O)O |
| SMILES | CACTVS | 3.370 | CC(O)(O)CC(C)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(CC(C)(O)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(CC(C)(O)O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H12O4/c1-4(6,7)3-5(2,8)9/h6-9H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | VNRDADQWVXLHCQ-UHFFFAOYSA-N |
