X4X
Summary
| Name: | (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide |
| Formula: | C20 H37 N O3 |
| Formal charge: | 0 |
| Formula weight: | 339.513 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide |
| OpenEye OEToolkits | 2.0.7 | (9~{R},10~{E},12~{Z})-~{N}-(2-hydroxyethyl)-9-oxidanyl-octadeca-10,12-dienamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCNC(=O)CCCCCCCC(O)\C=C\C=C/CCCCC |
| InChI | InChI | 1.06 | InChI=1S/C20H37NO3/c1-2-3-4-5-6-8-11-14-19(23)15-12-9-7-10-13-16-20(24)21-17-18-22/h6,8,11,14,19,22-23H,2-5,7,9-10,12-13,15-18H2,1H3,(H,21,24)/b8-6-,14-11+/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | VYCHZJQSKAOAAT-HGKNAVPSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC\C=C/C=C/[C@H](O)CCCCCCCC(=O)NCCO |
| SMILES | CACTVS | 3.385 | CCCCCC=CC=C[CH](O)CCCCCCCC(=O)NCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)NCCO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC=CC=CC(CCCCCCCC(=O)NCCO)O |
