| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)P(=O)(O)CC(C(=O)O)Cc3onc(c2ccccc2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C19H17BrNO5P/c20-15-6-8-17(9-7-15)27(24,25)12-14(19(22)23)10-16-11-18(21-26-16)13-4-2-1-3-5-13/h1-9,11,14H,10,12H2,(H,22,23)(H,24,25)/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | YMPWYPMPNHEEBQ-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@H](Cc1onc(c1)c2ccccc2)C[P](O)(=O)c3ccc(Br)cc3 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH](Cc1onc(c1)c2ccccc2)C[P](O)(=O)c3ccc(Br)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2cc(on2)CC(CP(=O)(c3ccc(cc3)Br)O)C(=O)O |
