66B
Summary
| Name: | (8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid |
| Formula: | C24 H36 O3 |
| Formal charge: | 0 |
| Formula weight: | 372.541 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid |
| OpenEye OEToolkits | 1.7.6 | (8E,12Z,15Z,18Z,21Z)-6-oxidanylidenetetracosa-8,12,15,18,21-pentaenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCC(=O)C[C@H]=[C@H]CC[C@H]=[C@H]C[C@H]=CC\C=C/C\C=C/CC |
| InChI | InChI | 1.03 | InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(25)21-18-19-22-24(26)27/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-22H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12-,17-16+ |
| InChIKey | InChI | 1.03 | SOUDNDRWZSIFBW-IIFHDYRKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C=C/C/C=C\C\C=C/C\C=C/CC\C=C\CC(=O)CCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC/C=C\C/C=C\C/C=C\C/C=C\CC/C=C/CC(=O)CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCCC(=O)O |
