bis(chloranyl)ruthenium; bis(2-methylphenyl)-phenyl-phosphane; carbon monoxide

Systemtic Name: bis(chloranyl)ruthenium; bis(2-methylphenyl)-phenyl-phosphane; carbon monoxide Openeye Name: bis-o-tolyl(phenyl)phosphane; carbon monoxide; dichlororuthenium CAS Name: bis(2-methylphenyl)-phenylphosphine; carbon monoxide; dichlororuthenium IUPAC Name: bis(2-methylphenyl)-phenylphosphane; carbon monoxide; dichlororuthenium Traditional Name: bis-o-tolyl(phenyl)phosphine; carbon monoxide; dichlororuthenium Formula: C42H38Cl2O2P2Ru MolecularWeight: 808.673442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3C.[C-]#[O+].[C-]#[O+].Cl[Ru]Cl

Isomeric SMILES

CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3C.[C-]#[O+].[C-]#[O+].Cl[Ru]Cl

InChI

InChI=1S/2C20H19P.2CO.2ClH.Ru/c2*1-16-10-6-8-14-19(16)21(18-12-4-3-5-13-18)20-15-9-7-11-17(20)2;2*1-2;;;/h2*3-15H,1-2H3;;;2*1H;/q;;;;;;+2/p-2