2,7-dimethyl-4-propyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 2,7-dimethyl-4-propyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 2,7-dimethyl-4-propyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride CAS Name: 2,7-dimethyl-4-propyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 2,7-dimethyl-4-propyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 2,7-dimethyl-4-propyl-1H-inden-1-ide; dimethylsilylidenezirconium(2+); dichloride Formula: C60H80Cl2Si2Zr2-2 MolecularWeight: 1110.8022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCC1=C2C=C([CH-]C2=C(C=C1)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCC1=C2C=C([CH-]C2=C(C=C1)C)C.CCCC1=C2C=C([CH-]C2=C(C=C1)C)C.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C14H17.2C2H6Si.2ClH.2Zr/c4*1-4-5-12-7-6-11(3)13-8-10(2)9-14(12)13;2*1-3-2;;;;/h4*6-9H,4-5H2,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2