4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride CAS Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 4-tert-butyl-2,3,7-trimethyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Formula: C68H96Cl2Si2Zr2-2 MolecularWeight: 1223.01484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.CC1=C(C2=C(C=CC(=C2[CH-]1)C)C(C)(C)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C16H21.2C2H6Si.2ClH.2Zr/c4*1-10-7-8-14(16(4,5)6)15-12(3)11(2)9-13(10)15;2*1-3-2;;;;/h4*7-9H,1-6H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2