3XQ
Summary
| Name: | (2S)-2,3-dihydroxypropyl octadecanoate |
| Formula: | C21 H42 O4 |
| Formal charge: | 0 |
| Formula weight: | 358.556 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2,3-dihydroxypropyl octadecanoate |
| OpenEye OEToolkits | 1.9.2 | [(2S)-2,3-bis(oxidanyl)propyl] octadecanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(O)CO)CCCCCCCCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | VBICKXHEKHSIBG-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
