| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+ |
| InChIKey | InChI | 1.03 | PURJGKXXWJKIQR-ISLYRVAYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc13 |
| SMILES | CACTVS | 3.370 | Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc3)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(ccc2O)N=Nc3ccc(cc3)S(=O)(=O)O |
