480
Summary
| Name: | (2S)-2,3-dihydroxypropyl octanoate |
| Formula: | C11 H22 O4 |
| Formal charge: | 0 |
| Formula weight: | 218.29 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydroxypropyl octanoate |
| OpenEye OEToolkits | 1.9.2 | [(2S)-2,3-bis(oxidanyl)propyl] octanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(O)CO)CCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | GHBFNMLVSPCDGN-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CCCCCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCC(=O)OC[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCC(=O)OCC(CO)O |
