(2,3-diphenylcyclopenta-1,3-dien-1-yl)benzene; zirconium; dichloride

Systemtic Name: (2,3-diphenylcyclopenta-1,3-dien-1-yl)benzene; zirconium; dichloride Openeye Name: (2,3-diphenylcyclopenta-1,3-dien-1-yl)benzene; zirconium; dichloride CAS Name: (2,3-diphenyl-1-cyclopenta-1,3-dienyl)benzene; zirconium; dichloride IUPAC Name: (2,3-diphenylcyclopenta-1,3-dien-1-yl)benzene; zirconium; dichloride Traditional Name: (2,3-diphenylcyclopenta-1,3-dien-1-yl)benzene; zirconium; dichloride Formula: C46H36Cl2Zr-2 MolecularWeight: 750.90804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1C=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr]

Isomeric SMILES

C1C=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1C=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr]

InChI

InChI=1S/2C23H18.2ClH.Zr/c2*1-4-10-18(11-5-1)21-16-17-22(19-12-6-2-7-13-19)23(21)20-14-8-3-9-15-20;;;/h2*1-16H,17H2;2*1H;/p-2