| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Oc1cc(cc(OC)c1O)c3[o+]c2cc(O)cc(O)c2cc3O |
| InChI | InChI | 1.03 | InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1 |
| InChIKey | InChI | 1.03 | AFOLOMGWVXKIQL-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3cc2O |
| SMILES | CACTVS | 3.385 | COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3cc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O |
