A1ERA
Summary
| Name: | 3-[bis(oxidanyl)methyl]pentane-1,1,3,5,5-pentol |
| Formula: | C6 H14 O7 |
| Formal charge: | 0 |
| Formula weight: | 198.171 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[bis(oxidanyl)methyl]pentane-1,1,3,5,5-pentol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H14O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-13H,1-2H2 |
| InChIKey | InChI | 1.06 | SQKCGPGTPCENAH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(O)CC(O)(CC(O)O)C(O)O |
| SMILES | CACTVS | 3.385 | OC(O)CC(O)(CC(O)O)C(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C(O)O)C(CC(O)O)(C(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C(O)O)C(CC(O)O)(C(O)O)O |
