4,7-dimethyl-1H-inden-1-ide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(2+); dichloride

Systemtic Name: 4,7-dimethyl-1H-inden-1-ide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(2+); dichloride Openeye Name: 4,7-dimethyl-1H-inden-1-ide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(2+); dichloride CAS Name: 4,7-dimethyl-1H-inden-1-ide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(2+); dichloride IUPAC Name: 4,7-dimethyl-1H-inden-1-ide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(2+); dichloride Traditional Name: 4,7-dimethyl-1H-inden-1-ide; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(2+); dichloride Formula: C42H52Cl2Zr2-2 MolecularWeight: 810.21628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C11H11.2C10H15.2ClH.2Zr/c2*1-8-6-7-9(2)11-5-3-4-10(8)11;2*1-7-6-10(4,5)9(3)8(7)2;;;;/h2*3-7H,1-2H3;2*1-5H3;2*1H;;/q4*-1;;;2*+2/p-2