| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C1CC(C(CC(=O)O)C1)C(c2ccc(cc2)C(O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m0/s1 |
| InChIKey | InChI | 1.03 | AIBKYDBZFDNIIN-NWDGAFQWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)C2CCCC2CC(=O)O)C(=O)O |
