RU7

PARA-CYMENE RUTHENIUM CHLORIDE

Created:	2005-05-13
Last modified:	2013-03-25

Find Related PDB Entry
5 entries where RU7 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	0

2D diagram of RU7

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	PARA-CYMENE RUTHENIUM CHLORIDE
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₀ H₁₄ Cl₂ Ru
Molecular Weight	306.194
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cl[Ru]65432(Cl)C1=C6C5(=C4C3=C12C(C)C)C
SMILES	CACTVS	3.370	CC(C)C\|12=C3\|[Ru]\|4\|5\|6\|1(Cl)(Cl)\|C(=C2\|4)C\|5(=C3\|6)C
SMILES	OpenEye OEToolkits	1.7.6	CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl
Canonical SMILES	CACTVS	3.370	CC(C)C\|12=C3\|[Ru]\|4\|5\|6\|1(Cl)(Cl)\|C(=C2\|4)C\|5(=C3\|6)C
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl
InChI	InChI	1.03	InChI=1S/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKey	InChI	1.03	UCXDWSTYBSBFFB-UHFFFAOYSA-L

Related Resource References

Resource Name	Reference
PubChem	139238309, 11141294, 11984910, 11551268

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.