J3G
Summary
| Name: | 2-hydroxypropane-1,3-diyl dibutanoate |
| Formula: | C11 H20 O5 |
| Formal charge: | 0 |
| Formula weight: | 232.273 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-hydroxypropane-1,3-diyl dibutanoate |
| OpenEye OEToolkits | 2.0.6 | (3-butanoyloxy-2-oxidanyl-propyl) butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCC(OCC(COC(=O)CCC)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H20O5/c1-3-5-10(13)15-7-9(12)8-16-11(14)6-4-2/h9,12H,3-8H2,1-2H3 |
| InChIKey | InChI | 1.03 | KBWFWZJNPVZRRG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)OCC(O)COC(=O)CCC |
| SMILES | CACTVS | 3.385 | CCCC(=O)OCC(O)COC(=O)CCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCC(=O)OCC(COC(=O)CCC)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCC(=O)OCC(COC(=O)CCC)O |
