diphenylsilylidenezirconium(2+); (3-methylcyclopenta-1,3-dien-1-yl)benzene; dichloride

Systemtic Name: diphenylsilylidenezirconium(2+); (3-methylcyclopenta-1,3-dien-1-yl)benzene; dichloride Openeye Name: diphenylsilylidenezirconium(2+); (3-methylcyclopenta-1,3-dien-1-yl)benzene; dichloride CAS Name: diphenylsilylidenezirconium(2+); (3-methyl-1-cyclopenta-1,3-dienyl)benzene; dichloride IUPAC Name: diphenylsilylidenezirconium(2+); (3-methylcyclopenta-1,3-dien-1-yl)benzene; dichloride Traditional Name: diphenylsilylidenezirconium(2+); (3-methylcyclopenta-1,3-dien-1-yl)benzene; dichloride Formula: C72H64Cl2Si2Zr2-2 MolecularWeight: 1238.80356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC(=C1)C2=CC=CC=C2.CC1=[C-]CC(=C1)C2=CC=CC=C2.CC1=[C-]CC(=C1)C2=CC=CC=C2.CC1=[C-]CC(=C1)C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=[C-]CC(=C1)C2=CC=CC=C2.CC1=[C-]CC(=C1)C2=CC=CC=C2.CC1=[C-]CC(=C1)C2=CC=CC=C2.CC1=[C-]CC(=C1)C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C12H10Si.4C12H11.2ClH.2Zr/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;/h2*1-10H;4*2-6,9H,8H2,1H3;2*1H;;/q;;4*-1;;;2*+2/p-2