bis(chloranyl)ruthenium; 2-(4-methylphenyl)ethynyl-diphenyl-phosphane

Systemtic Name: bis(chloranyl)ruthenium; 2-(4-methylphenyl)ethynyl-diphenyl-phosphane Openeye Name: dichlororuthenium; diphenyl-[2-(p-tolyl)ethynyl]phosphane CAS Name: dichlororuthenium; 2-(4-methylphenyl)ethynyl-diphenylphosphine IUPAC Name: dichlororuthenium; 2-(4-methylphenyl)ethynyl-diphenylphosphane Traditional Name: dichlororuthenium; diphenyl-[2-(p-tolyl)ethynyl]phosphine Formula: C84H68Cl2P4Ru MolecularWeight: 1373.309764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CP(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)C#CP(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)C#CP(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)C#CP(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]Cl

Isomeric SMILES

CC1=CC=C(C=C1)C#CP(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)C#CP(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)C#CP(C2=CC=CC=C2)C3=CC=CC=C3.CC1=CC=C(C=C1)C#CP(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ru]Cl

InChI

InChI=1S/4C21H17P.2ClH.Ru/c4*1-18-12-14-19(15-13-18)16-17-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21;;;/h4*2-15H,1H3;2*1H;/q;;;;;;+2/p-2