F7T
Summary
| Name: | alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex |
| Formula: | C15 H15 Cl2 N3 O3 Pt S |
| Formal charge: | 2 |
| Formula weight: | 583.347 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (SP-4-3)-dichlorido{3-[2-(pyridin-2-yl-kappaN)-1H-1,3-benzimidazol-1-yl-kappaN~3~]propane-1-sulfonato}platinum(2+) |
| OpenEye OEToolkits | 3.1.0.0 | 3-[16,16-bis(chloranyl)-8-aza-1,15-diazonia-16$l^{4}-platinatetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaen-8-yl]propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(O)CCCn1c2ccccc2[n+]2c1c1cccc[n+]1[Pt]2(Cl)Cl |
| InChI | InChI | 1.06 | InChI=1S/C15H15N3O3S.2ClH.Pt/c19-22(20,21)11-5-10-18-14-8-2-1-6-12(14)17-15(18)13-7-3-4-9-16-13;;;/h1-4,6-9H,5,10-11H2,(H,19,20,21);2*1H;/q;;;+4/p-2 |
| InChIKey | InChI | 1.06 | IZMHGJJPSRRFIR-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)CCCn1c2ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O |
