EJL
Summary
| Name: | (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid |
| Formula: | C24 H32 O3 |
| Formal charge: | 0 |
| Formula weight: | 368.509 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (9~{Z},12~{Z},15~{Z},18~{Z},21~{Z})-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24(26)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17,19,21-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,16-15- |
| InChIKey | InChI | 1.03 | LHUWCJHCWHNRNX-JLNKQSITSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CC#CC(=O)CCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC#CC(=O)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC=CCC=CCC=CCC=CCC=CCC#CC(=O)CCCC(=O)O |
