bis(chloranyl)ruthenium; 4-diphenylphosphanylbenzenesulfonic acid

Systemtic Name: bis(chloranyl)ruthenium; 4-diphenylphosphanylbenzenesulfonic acid Openeye Name: dichlororuthenium; 4-diphenylphosphanylbenzenesulfonic acid CAS Name: dichlororuthenium; 4-diphenylphosphinobenzenesulfonic acid IUPAC Name: dichlororuthenium; 4-diphenylphosphanylbenzenesulfonic acid Traditional Name: dichlororuthenium; 4-diphenylphosphinobesylic acid Formula: C72H60Cl2O12P4RuS4 MolecularWeight: 1541.370644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.Cl[Ru]Cl

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.Cl[Ru]Cl

InChI

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