bis(chloranyl)ruthenium; 3,3-diphenylprop-2-enyl ethanoate; triphenylphosphane

Systemtic Name: bis(chloranyl)ruthenium; 3,3-diphenylprop-2-enyl ethanoate; triphenylphosphane Openeye Name: dichlororuthenium; 3,3-diphenylallyl acetate; triphenylphosphane CAS Name: acetic acid 3,3-diphenylprop-2-enyl ester; dichlororuthenium; triphenylphosphine IUPAC Name: dichlororuthenium; 3,3-diphenylprop-2-enyl acetate; triphenylphosphane Traditional Name: acetic acid 3,3-diphenylallyl ester; dichlororuthenium; triphenylphosphine Formula: C53H44Cl2O2P2Ru MolecularWeight: 946.838782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O[C]C=C(C1=CC=CC=C1)C2=CC=CC=C2.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(=O)O[C]C=C(C1=CC=CC=C1)C2=CC=CC=C2.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.C17H14O2.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(18)19-13-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16;;;/h2*1-15H;2-12H,1H3;2*1H;/q;;;;;+2/p-2