cyclopenta-1,3-diene; ethane-1,1-diol; ruthenium; ruthenium(6+); triphenylphosphanium; dicyanide

Systemtic Name: cyclopenta-1,3-diene; ethane-1,1-diol; ruthenium; ruthenium(6+); triphenylphosphanium; dicyanide Openeye Name: cyclopenta-1,3-diene; ethane-1,1-diol; ruthenium; ruthenium(6+); triphenylphosphonium; dicyanide CAS Name: cyclopenta-1,3-diene; ethane-1,1-diol; ruthenium; ruthenium(6+); triphenylphosphonium; dicyanide IUPAC Name: cyclopenta-1,3-diene; ethane-1,1-diol; ruthenium; ruthenium(6+); triphenylphosphanium; dicyanide Traditional Name: cyclopenta-1,3-diene; ethane-1,1-diol; ruthenium; ruthenium(6+); triphenylphosphonium; dicyanide Formula: C92H98N2O8P4Ru4+12 MolecularWeight: 1887.946164

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CC(O)O.CC(O)O.[C-]#N.[C-]#N.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ru].[Ru].[Ru+6].[Ru+6]

Isomeric SMILES

CC(O)O.CC(O)O.CC(O)O.CC(O)O.[C-]#N.[C-]#N.[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ru].[Ru].[Ru+6].[Ru+6]

InChI

InChI=1S/4C18H15P.2C5H5.4C2H6O2.2CN.4Ru/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-4-5-3-1;4*1-2(3)4;2*1-2;;;;/h4*1-15H;2*1-5H;4*2-4H,1H3;;;;;;/q;;;;2*-1;;;;;2*-1;;;2*+6/p+4