bis(chloranyl)ruthenium; 4-tert-butylpyridine; triphenylphosphane

Systemtic Name: bis(chloranyl)ruthenium; 4-tert-butylpyridine; triphenylphosphane Openeye Name: 4-tert-butylpyridine; dichlororuthenium; triphenylphosphane CAS Name: 4-tert-butylpyridine; dichlororuthenium; triphenylphosphine IUPAC Name: 4-tert-butylpyridine; dichlororuthenium; triphenylphosphane Traditional Name: 4-tert-butylpyridine; dichlororuthenium; triphenylphosphine Formula: C54H56Cl2N2P2Ru MolecularWeight: 966.959362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H15P.2C9H13N.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-9(2,3)8-4-6-10-7-5-8;;;/h2*1-15H;2*4-7H,1-3H3;2*1H;/q;;;;;;+2/p-2