| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(c2ccc(c1ccc(cc1)CCC(O)CC(=O)O)cc2)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)c1ccc(cc1)c2ccc(CC[C@H](O)CC(O)=O)cc2 |
| SMILES | CACTVS | 3.352 | CC(=O)c1ccc(cc1)c2ccc(CC[CH](O)CC(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)c1ccc(cc1)c2ccc(cc2)CCC(CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H20O4/c1-13(20)15-7-9-17(10-8-15)16-5-2-14(3-6-16)4-11-18(21)12-19(22)23/h2-3,5-10,18,21H,4,11-12H2,1H3,(H,22,23)/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | QSVVRYPBRVSBDL-SFHVURJKSA-N |
