cyclopentane; 4-ethyloct-3-en-1-ynylbenzene; zirconium(4+)

Systemtic Name: cyclopentane; 4-ethyloct-3-en-1-ynylbenzene; zirconium(4+) Openeye Name: cyclopentane; 4-ethyloct-3-en-1-ynylbenzene; zirconium(4+) CAS Name: cyclopentane; 4-ethyloct-3-en-1-ynylbenzene; zirconium(4+) IUPAC Name: cyclopentane; 4-ethyloct-3-en-1-ynylbenzene; zirconium(4+) Traditional Name: cyclopentane; 4-ethyloct-3-en-1-ynylbenzene; zirconium(4+) Formula: C26H28Zr+2 MolecularWeight: 431.72452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=[C-]C#CC1=CC=CC=C1)C[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

Isomeric SMILES

CCCCC(=[C-]C#CC1=CC=CC=C1)C[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C16H18.2C5H5.Zr/c1-3-5-10-15(4-2)13-9-14-16-11-7-6-8-12-16;2*1-2-4-5-3-1;/h6-8,11-12H,2-5,10H2,1H3;2*1-5H;/q-2;;;+4