1-tert-butyl-4-cyclopenta-1,4-dien-1-yl-benzene; zirconium(2+); dichloride

Systemtic Name: 1-tert-butyl-4-cyclopenta-1,4-dien-1-yl-benzene; zirconium(2+); dichloride Openeye Name: 1-tert-butyl-4-cyclopenta-1,4-dien-1-yl-benzene; zirconium(2+); dichloride CAS Name: 1-tert-butyl-4-(1-cyclopenta-1,4-dienyl)benzene; zirconium(2+); dichloride IUPAC Name: 1-tert-butyl-4-cyclopenta-1,4-dien-1-ylbenzene; zirconium(2+); dichloride Traditional Name: 1-tert-butyl-4-cyclopenta-1,4-dien-1-yl-benzene; zirconium(2+); dichloride Formula: C30H34Cl2Zr-2 MolecularWeight: 556.72096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H17.2ClH.Zr/c2*1-15(2,3)14-10-8-13(9-11-14)12-6-4-5-7-12;;;/h2*4,6,8-11H,5H2,1-3H3;2*1H;/q2*-1;;;+2/p-2