1-fluoranyl-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride

Systemtic Name: 1-fluoranyl-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Openeye Name: 1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride CAS Name: 1-fluoro-2-(3-methyl-1-cyclopenta-1,3-dienyl)benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride IUPAC Name: 1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Traditional Name: 1-fluoro-2-(3-methylcyclopenta-1,3-dien-1-yl)benzene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Formula: C62H56Cl2F4Si2Zr2-2 MolecularWeight: 1186.626653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC(=C1)C2=CC=CC=C2F.CC1=[C-]CC(=C1)C2=CC=CC=C2F.CC1=[C-]CC(=C1)C2=CC=CC=C2F.CC1=[C-]CC(=C1)C2=CC=CC=C2F.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

Isomeric SMILES

CC1=[C-]CC(=C1)C2=CC=CC=C2F.CC1=[C-]CC(=C1)C2=CC=CC=C2F.CC1=[C-]CC(=C1)C2=CC=CC=C2F.CC1=[C-]CC(=C1)C2=CC=CC=C2F.C[Si](=[Zr+2])C1=CC=CC=C1.C[Si](=[Zr+2])C1=CC=CC=C1.[Cl-].[Cl-]

InChI

InChI=1S/4C12H10F.2C7H8Si.2ClH.2Zr/c4*1-9-6-7-10(8-9)11-4-2-3-5-12(11)13;2*1-8-7-5-3-2-4-6-7;;;;/h4*2-5,8H,7H2,1H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2