RSW
Summary
| Name: | [(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) |
| Formula: | C25 H16 Cl N3 O4 Ru |
| Formal charge: | 1 |
| Formula weight: | 558.935 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1%12C8C9C%10C%11C1[Ru]589%10%11%12(Cl)[n+]7c2c(c6c(c3c2n5c4c3cccc4)C(=O)NC6=O)cc(c7)C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc2c3C(=O)NC(=O)c3c4c5ccccc5n6[Ru]|7|8|9|%10|%11(Cl)(|C%12C|7C|8C|9(C|%10C|%11%12)C(O)=O)[n+](c1)c2c46 |
| SMILES | CACTVS | 3.370 | Cc1cc2c3C(=O)NC(=O)c3c4c5ccccc5n6[Ru]|7|8|9|%10|%11(Cl)(|C%12C|7C|8C|9(C|%10C|%11%12)C(O)=O)[n+](c1)c2c46 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912([C@@H]4[C@H]7C8([C@H]9[C@H]1C24)C(=O)O)Cl)C(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]678912(C4C7C8C9(C1C24)C(=O)O)Cl)C(=O)NC3=O |
| InChI | InChI | 1.03 | InChI=1S/C18H11N3O2.C7H6O2.ClH.Ru/c1-8-6-10-13-14(18(23)21-17(13)22)12-9-4-2-3-5-11(9)20-16(12)15(10)19-7-8;8-7(9)6-4-2-1-3-5-6;;/h2-7H,1H3,(H2,19,20,21,22,23);1-5H,(H,8,9);1H;/q;;;+3/p-2 |
| InChIKey | InChI | 1.03 | LOEHCDRAMDJWEG-UHFFFAOYSA-L |
