| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1cccc(Br)c1C1Cc2occ(c2CC1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C16H15BrO4/c1-20-13-4-2-3-12(17)15(13)9-5-6-10-11(16(18)19)8-21-14(10)7-9/h2-4,8-9H,5-7H2,1H3,(H,18,19)/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | YBXNPBLNRNWWNO-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(Br)c1[C@@H]2CCc3c(C2)occ3C(O)=O |
| SMILES | CACTVS | 3.385 | COc1cccc(Br)c1[CH]2CCc3c(C2)occ3C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1cccc(c1[C@@H]2CCc3c(coc3C2)C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1cccc(c1C2CCc3c(coc3C2)C(=O)O)Br |
