bis(chloranyl)ruthenium; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; furan-2-carbonitrile

Systemtic Name: bis(chloranyl)ruthenium; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenyl-phosphane; furan-2-carbonitrile Openeye Name: dichlororuthenium; [1-(2-diphenylphosphanyl-1-naphthyl)-2-naphthyl]-diphenyl-phosphane; furan-2-carbonitrile CAS Name: dichlororuthenium; [1-(2-diphenylphosphino-1-naphthalenyl)-2-naphthalenyl]-diphenylphosphine; 2-furancarbonitrile IUPAC Name: dichlororuthenium; [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane; furan-2-carbonitrile Traditional Name: dichlororuthenium; [1-(2-diphenylphosphino-1-naphthyl)-2-naphthyl]-diphenyl-phosphine; 2-furonitrile Formula: C54H38Cl2N2O2P2Ru MolecularWeight: 980.815242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.C1=COC(=C1)C#N.C1=COC(=C1)C#N.Cl[Ru]Cl

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.C1=COC(=C1)C#N.C1=COC(=C1)C#N.Cl[Ru]Cl

InChI

InChI=1S/C44H32P2.2C5H3NO.2ClH.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*6-4-5-2-1-3-7-5;;;/h1-32H;2*1-3H;2*1H;/q;;;;;+2/p-2