EET
Summary
Name: | (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid |
Formula: | C20 H34 O4 |
Formal charge: | 0 |
Formula weight: | 338.482 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.5 | (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-/t18-,19-/m1/s1 |
InChIKey | InChI | 1.03 | SYAWGTIVOGUZMM-JHIAIUNDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@@H](O)[C@H](O)C\C=C/C/C=C\C\C=C/CCCC(O)=O |
SMILES | CACTVS | 3.385 | CCCCC[CH](O)[CH](O)CC=CCC=CCC=CCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.5 | CCCCCC(C(CC=CCC=CCC=CCCCC(=O)O)O)O |