1-cyclopenta-1,4-dien-1-ylnaphthalene; dimethylsilylidenezirconium(2+); dichloride

Systemtic Name: 1-cyclopenta-1,4-dien-1-ylnaphthalene; dimethylsilylidenezirconium(2+); dichloride Openeye Name: 1-cyclopenta-1,4-dien-1-ylnaphthalene; dimethylsilylidenezirconium(2+); dichloride CAS Name: 1-(1-cyclopenta-1,4-dienyl)naphthalene; dimethylsilylidenezirconium(2+); dichloride IUPAC Name: 1-cyclopenta-1,4-dien-1-ylnaphthalene; dimethylsilylidenezirconium(2+); dichloride Traditional Name: 1-cyclopenta-1,4-dien-1-ylnaphthalene; dimethylsilylidenezirconium(2+); dichloride Formula: C64H56Cl2Si2Zr2-2 MolecularWeight: 1134.65444

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.C1C=C(C=[C-]1)C2=CC=CC3=CC=CC=C32.C1C=C(C=[C-]1)C2=CC=CC3=CC=CC=C32.C1C=C(C=[C-]1)C2=CC=CC3=CC=CC=C32.C1C=C(C=[C-]1)C2=CC=CC3=CC=CC=C32.[Cl-].[Cl-]

Isomeric SMILES

C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.C1C=C(C=[C-]1)C2=CC=CC3=CC=CC=C32.C1C=C(C=[C-]1)C2=CC=CC3=CC=CC=C32.C1C=C(C=[C-]1)C2=CC=CC3=CC=CC=C32.C1C=C(C=[C-]1)C2=CC=CC3=CC=CC=C32.[Cl-].[Cl-]

InChI

InChI=1S/4C15H11.2C2H6Si.2ClH.2Zr/c4*1-2-7-12(6-1)15-11-5-9-13-8-3-4-10-14(13)15;2*1-3-2;;;;/h4*3-11H,1H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2