| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2cc(c(SCc1cccc(OCCCCCCCC)c1)cc2)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCOc1cccc(CSc2ccc(Br)cc2C(O)=O)c1 |
| SMILES | CACTVS | 3.370 | CCCCCCCCOc1cccc(CSc2ccc(Br)cc2C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCCCCOc1cccc(c1)CSc2ccc(cc2C(=O)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C22H27BrO3S/c1-2-3-4-5-6-7-13-26-19-10-8-9-17(14-19)16-27-21-12-11-18(23)15-20(21)22(24)25/h8-12,14-15H,2-7,13,16H2,1H3,(H,24,25) |
| InChIKey | InChI | 1.03 | DMCLNIZKWQGPTM-UHFFFAOYSA-N |
