1-[(1E)-buta-1,3-dienyl]-2-phenyl-benzene; triethylphosphane; zirconium(2+); dichloride

Systemtic Name: 1-[(1E)-buta-1,3-dienyl]-2-phenyl-benzene; triethylphosphane; zirconium(2+); dichloride Openeye Name: 1-[(1E)-buta-1,3-dienyl]-2-phenyl-benzene; triethylphosphane; zirconium(2+); dichloride CAS Name: 1-[(1E)-buta-1,3-dienyl]-2-phenylbenzene; triethylphosphine; zirconium(2+); dichloride IUPAC Name: 1-[(1E)-buta-1,3-dienyl]-2-phenylbenzene; triethylphosphane; zirconium(2+); dichloride Traditional Name: 1-[(1E)-buta-1,3-dienyl]-2-phenyl-benzene; triethylphosphine; zirconium(2+); dichloride Formula: C28H44Cl2P2Zr MolecularWeight: 604.726482

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Descriptors Computed from Structure

Canonical SMILES:

CCP(CC)CC.CCP(CC)CC.C=CC=CC1=CC=CC=C1C2=CC=CC=C2.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCP(CC)CC.CCP(CC)CC.C=C/C=C/C1=CC=CC=C1C2=CC=CC=C2.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C16H14.2C6H15P.2ClH.Zr/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;2*1-4-7(5-2)6-3;;;/h2-13H,1H2;2*4-6H2,1-3H3;2*1H;/q;;;;;+2/p-2/b9-3+;;;;;