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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C2C(=C([CH-]C2=C(C=C1)C)C)C.CCC(C)C1=C2C(=C([CH-]C2=C(C=C1)C)C)C.CCC(C)C1=C2C(=C([CH-]C2=C(C=C1)C)C)C.CCC(C)C1=C2C(=C([CH-]C2=C(C=C1)C)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC(C)C1=C2C(=C([CH-]C2=C(C=C1)C)C)C.CCC(C)C1=C2C(=C([CH-]C2=C(C=C1)C)C)C.CCC(C)C1=C2C(=C([CH-]C2=C(C=C1)C)C)C.CCC(C)C1=C2C(=C([CH-]C2=C(C=C1)C)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C16H21.2C2H6Si.2ClH.2Zr/c4*1-6-10(2)14-8-7-11(3)15-9-12(4)13(5)16(14)15;2*1-3-2;;;;/h4*7-10H,6H2,1-5H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2