5OX
Summary
| Name: | (7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid |
| Formula: | C23 H34 O3 |
| Formal charge: | 0 |
| Formula weight: | 358.514 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid |
| OpenEye OEToolkits | 1.7.6 | (7E,11Z,14Z,17Z,20Z)-5-oxidanylidenetricosa-7,11,14,17,20-pentaenoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCC(=O)C[C@H]=[C@H]CC[C@H]=[C@H]C[C@H]=[C@H]C[C@H]=CC\C=C/CC |
| InChI | InChI | 1.03 | InChI=1S/C23H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-18-21-23(25)26/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-21H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-,17-16+ |
| InChIKey | InChI | 1.03 | DIXZZUWKTKHHEG-IIFHDYRKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC/C=C\C\C=C/C\C=C/C\C=C/CC\C=C\CC(=O)CCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCC(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)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC=CCC=CCC=CCC=CCCC=CCC(=O)CCCC(=O)O |
