LH9
Summary
| Name: | [(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate |
| Formula: | C20 H38 O4 |
| Formal charge: | 0 |
| Formula weight: | 342.513 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h8-9,19,21-22H,2-7,10-18H2,1H3/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | NXAQGVNJNZDCNZ-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC=CCCCCCCCC(=O)OCC(CO)O |
