種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cl[Ru]2314oc(o[Ru]4(Cl)(oc(o1)C)(oc(o2)C)oc(o3)C)C |
InChI | InChI | 1.03 | InChI=1S/4C2H4O2.2ClH.2Ru/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);2*1H;;/q;;;;;;2*+3/p-6 |
InChIKey | InChI | 1.03 | VJFVKLYKWCORIY-UHFFFAOYSA-H |
SMILES_CANONICAL | CACTVS | 3.370 | CC1=O|[Ru]|234(Cl)|O=C(C)O[Ru]|2(Cl)(|O=C(C)O3)(|O=C(C)O4)O1 |
SMILES | CACTVS | 3.370 | CC1=O|[Ru]|234(Cl)|O=C(C)O[Ru]|2(Cl)(|O=C(C)O3)(|O=C(C)O4)O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=O[Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC(=O4)C)Cl)Cl |