| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(CCCC1CC(O)=O)Cc2ccc(cc2)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H18O4/c16-14(17)9-13-3-1-2-12(13)8-10-4-6-11(7-5-10)15(18)19/h4-7,12-13H,1-3,8-9H2,(H,16,17)(H,18,19)/t12-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | MXTHRYIVPLVGFC-STQMWFEESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H]1CCC[C@H]1Cc2ccc(cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1CCC[CH]1Cc2ccc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC2CCCC2CC(=O)O)C(=O)O |
