1-tert-butyl-3-methyl-cyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride

Systemtic Name: 1-tert-butyl-3-methyl-cyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride Openeye Name: 1-tert-butyl-3-methyl-cyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride CAS Name: 1-tert-butyl-3-methylcyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride IUPAC Name: 1-tert-butyl-3-methylcyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride Traditional Name: 1-tert-butyl-3-methyl-cyclopenta-1,3-diene; diphenylsilylidenezirconium(2+); dichloride Formula: C64H80Cl2Si2Zr2-2 MolecularWeight: 1158.845

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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.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)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.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.4C10H15.2ClH.2Zr/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;4*1-8-5-6-9(7-8)10(2,3)4;;;;/h2*1-10H;4*7H,6H2,1-4H3;2*1H;;/q;;4*-1;;;2*+2/p-2