1-cyclopenta-1,4-dien-1-yl-3-methyl-benzene; 1$l^{2}-siletane; zirconium(4+); dichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-3-methyl-benzene; 1$l^{2}-siletane; zirconium(4+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-yl-3-methyl-benzene; 1$l^{2}-siletane; zirconium(4+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)-3-methylbenzene; 1$l^{2}-siletane; zirconium(4+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-3-methylbenzene; 1$l^{2}-siletane; zirconium(4+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-yl-3-methyl-benzene; 1$l^{2}-siletane; zirconium(4+); dichloride Formula: C27H28Cl2SiZr MolecularWeight: 542.72672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=[C-]CC=C2.CC1=CC=CC(=C1)C2=[C-]CC=C2.C1C[Si]C1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=CC(=C1)C2=[C-]CC=C2.CC1=CC=CC(=C1)C2=[C-]CC=C2.C1C[Si]C1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C12H11.C3H6Si.2ClH.Zr/c2*1-10-5-4-8-12(9-10)11-6-2-3-7-11;1-2-4-3-1;;;/h2*2,4-6,8-9H,3H2,1H3;1-3H2;2*1H;/q2*-1;;;;+4/p-2