1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-benzene; zirconium(2+); dichloride

Systemtic Name: 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-benzene; zirconium(2+); dichloride Openeye Name: 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-benzene; zirconium(2+); dichloride CAS Name: 1,3-ditert-butyl-5-(1-cyclopenta-1,4-dienyl)benzene; zirconium(2+); dichloride IUPAC Name: 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-ylbenzene; zirconium(2+); dichloride Traditional Name: 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-benzene; zirconium(2+); dichloride Formula: C19H25Cl2Zr- MolecularWeight: 415.5318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25.2ClH.Zr/c1-18(2,3)16-11-15(14-9-7-8-10-14)12-17(13-16)19(4,5)6;;;/h7,9,11-13H,8H2,1-6H3;2*1H;/q-1;;;+2/p-2