tetrasodium; bis(chloranyl)-(3,3-diphenylpropa-1,2-dienylidene)ruthenium; 2-diphenylphosphanylbenzenesulfonate

Systemtic Name: tetrasodium; bis(chloranyl)-(3,3-diphenylpropa-1,2-dienylidene)ruthenium; 2-diphenylphosphanylbenzenesulfonate Openeye Name: tetrasodium; dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium; 2-diphenylphosphanylbenzenesulfonate CAS Name: tetrasodium; dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium; 2-diphenylphosphinobenzenesulfonate IUPAC Name: tetrasodium; dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium; 2-diphenylphosphanylbenzenesulfonate Traditional Name: tetrasodium; dichloro(3,3-diphenylpropa-1,2-dienylidene)ruthenium; 2-diphenylphosphinobesylate Formula: C102H76Cl4Na4O12P4Ru2S4 MolecularWeight: 2181.753764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C=C=[Ru](Cl)Cl)C2=CC=CC=C2.C1=CC=C(C=C1)C(=C=C=[Ru](Cl)Cl)C2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=C=C=[Ru](Cl)Cl)C2=CC=CC=C2.C1=CC=C(C=C1)C(=C=C=[Ru](Cl)Cl)C2=CC=CC=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C18H15O3PS.2C15H10.4ClH.4Na.2Ru/c4*19-23(20,21)18-14-8-7-13-17(18)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;2*1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;;;;;;;;/h4*1-14H,(H,19,20,21);2*3-12H;4*1H;;;;;;/q;;;;;;;;;;4*+1;2*+2/p-8