ethane-1,1-diol; ruthenium; triphenylphosphanium; hydrate

Systemtic Name: ethane-1,1-diol; ruthenium; triphenylphosphanium; hydrate Openeye Name: ethane-1,1-diol; ruthenium; triphenylphosphonium; hydrate CAS Name: ethane-1,1-diol; ruthenium; triphenylphosphonium; hydrate IUPAC Name: ethane-1,1-diol; ruthenium; triphenylphosphanium; hydrate Traditional Name: ethane-1,1-diol; ruthenium; triphenylphosphonium; hydrate Formula: C66H86O13P3Ru3+3 MolecularWeight: 1483.512523

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.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.O.[Ru].[Ru].[Ru]

Isomeric SMILES

CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.CC(O)O.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.O.[Ru].[Ru].[Ru]

InChI

InChI=1S/3C18H15P.6C2H6O2.H2O.3Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*1-2(3)4;;;;/h3*1-15H;6*2-4H,1H3;1H2;;;/p+3