| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2C(C(c1ccc(cc1)CC(=O)O)=O)C(CC2)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H18O5/c17-14(18)8-10-4-6-11(7-5-10)16(21)13-3-1-2-12(13)9-15(19)20/h4-7,12-13H,1-3,8-9H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | MDWWEFDMQKFGKX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(CC(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(CC(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)O |
