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Summary
| Name: | 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol |
| Formula: | C9 H20 O5 |
| Formal charge: | 0 |
| Formula weight: | 208.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol |
| OpenEye OEToolkits | 1.5.0 | 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC(C(CCO)CCO)(CO)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCC(CCO)C(CO)(CO)CO |
| SMILES | CACTVS | 3.341 | OCCC(CCO)C(CO)(CO)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CO)C(CCO)C(CO)(CO)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CO)C(CCO)C(CO)(CO)CO |
| InChI | InChI | 1.03 | InChI=1S/C9H20O5/c10-3-1-8(2-4-11)9(5-12,6-13)7-14/h8,10-14H,1-7H2 |
| InChIKey | InChI | 1.03 | SBDIPIUGTYTDCJ-UHFFFAOYSA-N |
