A1L01
Summary
| Name: | (3~{S})-3-decanoyloxytetradecanoic acid |
| Formula: | C24 H46 O4 |
| Formal charge: | 0 |
| Formula weight: | 398.62 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-decanoyloxytetradecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H46O4/c1-3-5-7-9-11-12-14-15-17-19-22(21-23(25)26)28-24(27)20-18-16-13-10-8-6-4-2/h22H,3-21H2,1-2H3,(H,25,26)/t22-/m0/s1 |
| InChIKey | InChI | 1.06 | WLNJGOIHOQOCJP-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCC[C@@H](CC(O)=O)OC(=O)CCCCCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC |
