| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1ccccc1C1Cc2occ(c2CC1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C15H13BrO3/c16-13-4-2-1-3-10(13)9-5-6-11-12(15(17)18)8-19-14(11)7-9/h1-4,8-9H,5-7H2,(H,17,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | ZVFGDXCBFXDUHE-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1coc2C[C@H](CCc12)c3ccccc3Br |
| SMILES | CACTVS | 3.385 | OC(=O)c1coc2C[CH](CCc12)c3ccccc3Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)[C@H]2CCc3c(coc3C2)C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)C2CCc3c(coc3C2)C(=O)O)Br |
