RUD

[ethane6-3-(p-tolyl)propanoic acid]Ru(1,3,5-triaza-7-phosphaadamantane)Cl2

Created: 2015-08-21
Last modified:  2017-10-11

Find related ligands:

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count57
Aromatic Bond Count6
2D diagram of RUD

Chemical Component Summary

Name[ethane6-3-(p-tolyl)propanoic acid]Ru(1,3,5-triaza-7-phosphaadamantane)Cl2
Systematic Name (OpenEye OEToolkits)n/a
FormulaC16 H24 Cl2 N3 O2 P Ru
Molecular Weight493.33
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01[Ru](P13CN2CN(C1)CN(C2)C3)(Cl)Cl.c1(C)ccc(cc1)CCC(=O)O
SMILESCACTVS3.385Cc1ccc(CCC(O)=O)cc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4
SMILESOpenEye OEToolkits2.0.4Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl
Canonical SMILESCACTVS3.385 Cc1ccc(CCC(O)=O)cc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl
InChIInChI1.03 InChI=1S/C10H12O2.C6H12N3P.2ClH.Ru/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h2-5H,6-7H2,1H3,(H,11,12);1-6H2;2*1H;/q;;;;+1/p-1
InChIKeyInChI1.03 UZIJOIXYBLAWLW-UHFFFAOYSA-M