| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc2ccc(C#Cc1ccc(C(=O)C(CC(=O)O)CCCCCC)cc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC[C@H](CC(O)=O)C(=O)c1ccc(cc1)C#Cc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.341 | CCCCCC[CH](CC(O)=O)C(=O)c1ccc(cc1)C#Cc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC[C@H](CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCC(CC(=O)O)C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C24H25ClO3/c1-2-3-4-5-6-21(17-23(26)27)24(28)20-13-9-18(10-14-20)7-8-19-11-15-22(25)16-12-19/h9-16,21H,2-6,17H2,1H3,(H,26,27)/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | UOBFNJXLVSPHNN-OAQYLSRUSA-N |
