1-tert-butyl-3-methyl-cyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride

Systemtic Name: 1-tert-butyl-3-methyl-cyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Openeye Name: 1-tert-butyl-3-methyl-cyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride CAS Name: 1-tert-butyl-3-methylcyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride IUPAC Name: 1-tert-butyl-3-methylcyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Traditional Name: 1-tert-butyl-3-methyl-cyclopenta-1,3-diene; [methyl(phenyl)silylidene]zirconium(2+); dichloride Formula: C54H76Cl2Si2Zr2-2 MolecularWeight: 1034.70624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C10H15.2C7H8Si.2ClH.2Zr/c4*1-8-5-6-9(7-8)10(2,3)4;2*1-8-7-5-3-2-4-6-7;;;;/h4*7H,6H2,1-4H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2