| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(C)CC(C1=C(O)c2c(OC1=O)cccc2)c3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)C[C@@H](c1ccccc1)C2=C(O)c3ccccc3OC2=O |
| SMILES | CACTVS | 3.341 | CC(=O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | PJVWKTKQMONHTI-HNNXBMFYSA-N |
