| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Clc3cccc(c2ccc(c1noc(c1)CCC(=O)O)cc2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C18H14ClNO3/c19-15-3-1-2-14(10-15)12-4-6-13(7-5-12)17-11-16(23-20-17)8-9-18(21)22/h1-7,10-11H,8-9H2,(H,21,22) |
| InChIKey | InChI | 1.03 | URCXEYDVUSIQLH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3 |
| SMILES | CACTVS | 3.370 | OC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O |
