Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1 |
InChIKey | InChI | 1.03 | BGKHCLZFGPIKKU-LDDQNKHRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O |
SMILES | CACTVS | 3.385 | CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CCCCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O |