RU7

PARA-CYMENE RUTHENIUM CHLORIDE

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

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count0
Bond Count32
Aromatic Bond Count0
2D diagram of RU7

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Chemical Component Summary

NamePARA-CYMENE RUTHENIUM CHLORIDE
Systematic Name (OpenEye OEToolkits)n/a
FormulaC10 H14 Cl2 Ru
Molecular Weight306.194
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cl[Ru]65432(Cl)C1=C6C5(=C4C3=C12C(C)C)C
SMILESCACTVS3.370CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|4)C|5(=C3|6)C
SMILESOpenEye OEToolkits1.7.6CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl
Canonical SMILESCACTVS3.370 CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|4)C|5(=C3|6)C
Canonical SMILESOpenEye OEToolkits1.7.6 CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl
InChIInChI1.03 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
InChIKeyInChI1.03 UCXDWSTYBSBFFB-UHFFFAOYSA-L

Related Resource References

Resource NameReference
PubChem 11551268, 139238309, 11141294, 11984910