| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCCC1C=CC(=O)C1C\C=C/CC |
| InChI | InChI | 1.03 | InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16+/m0/s1 |
| InChIKey | InChI | 1.03 | PMTMAFAPLCGXGK-TTXFDSJOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O |
| SMILES | CACTVS | 3.385 | CCC=CC[CH]1[CH](CCCCCCCC(O)=O)C=CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC/C=C\C[C@@H]1[C@H](C=CC1=O)CCCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC=CCC1C(C=CC1=O)CCCCCCCC(=O)O |
