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RU7

Summary
Name:PARA-CYMENE RUTHENIUM CHLORIDE
Formula:C10 H14 Cl2 Ru
Formal charge:0
Formula weight:306.194 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye/Lexichem1.4dichlororuthenium; 1-methyl-4-[(2R)-propan-2-yl]benzene
ACDLabs12.01dichloro[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cl[Ru]65432(Cl)C1=C6C5(=C4C3=C12C(C)C)C
InChIInChI1.03InChI=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
InChIKeyInChI1.03UCXDWSTYBSBFFB-UHFFFAOYSA-L
SMILES_CANONICALCACTVS3.370CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|4)C|5(=C3|6)C
SMILESCACTVS3.370CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|4)C|5(=C3|6)C
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl
SMILESOpenEye OEToolkits1.7.6CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl

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PDB entries from 2024-08-07

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