| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(CC(O)=O)CCC1)Cc2ccc(cc2)CC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H20O4/c17-15(18)9-12-6-4-11(5-7-12)8-13-2-1-3-14(13)10-16(19)20/h4-7,13-14H,1-3,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | QKXFMUHRVZWRPO-KBPBESRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H]1CCC[C@H]1Cc2ccc(CC(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1CCC[CH]1Cc2ccc(CC(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC2CCCC2CC(=O)O)CC(=O)O |
