G2A
Summary
| Name: | 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate |
| Formula: | C23 H46 O4 |
| Formal charge: | 0 |
| Formula weight: | 386.609 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dihydroxypropan-2-yl icosanoate |
| OpenEye OEToolkits | 1.9.2 | 1,3-bis(oxidanyl)propan-2-yl icosanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC(CO)CO)CCCCCCCCCCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3 |
| InChIKey | InChI | 1.03 | KECCPKLXQUOWMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO |
