NYN
Summary
| Name: | (OC-6-23)-chlorido(ethane-1,2-diamine-kappa~2~N,N')(1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium |
| Formula: | C8 H20 Cl N2 Ru S3 |
| Formal charge: | null |
| Formula weight: | 376.976 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (OC-6-23)-chlorido(ethane-1,2-diamine-kappa~2~N,N')(1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium |
| OpenEye OEToolkits | 3.1.0.0 | 10-chloranylspiro[1$l^{3},4$l^{3},7$l^{3}-trithia-10$l^{6}-ruthenatricyclo[5.2.1.0^{4,10}]decane-10,2'-1$l^{4},3$l^{4}-diaza-2$l^{6}-ruthenacyclopentane] |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cl[Ru]123([NH2]CC[NH2]1)S1CCS2CCS3CC1 |
| InChI | InChI | 1.06 | InChI=1S/C6H12S3.C2H8N2.ClH.Ru/c1-2-8-5-6-9-4-3-7-1;3-1-2-4;;/h1-6H2;1-4H2;1H;/q;;;+1/p-1 |
| InChIKey | InChI | 1.06 | DIWXAKQNVSJGAE-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCN.Cl[Ru].C1CSCCSCCS1 |
| SMILES | CACTVS | 3.385 | NCCN.Cl[Ru].C1CSCCSCCS1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[NH2][Ru]23([NH2]1)([S]4CC[S]2CC[S]3CC4)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1C[NH2][Ru]23([NH2]1)([S]4CC[S]2CC[S]3CC4)Cl |
