cyclopentane; [(1E)-4-ethylhepta-1,3-dienyl]benzene; zirconium(4+)

Systemtic Name: cyclopentane; [(1E)-4-ethylhepta-1,3-dienyl]benzene; zirconium(4+) Openeye Name: cyclopentane; [(1E)-4-ethylhepta-1,3-dienyl]benzene; zirconium(4+) CAS Name: cyclopentane; [(1E)-4-ethylhepta-1,3-dienyl]benzene; zirconium(4+) IUPAC Name: cyclopentane; [(1E)-4-ethylhepta-1,3-dienyl]benzene; zirconium(4+) Traditional Name: cyclopentane; [(1E)-4-ethylhepta-1,3-dienyl]benzene; zirconium(4+) Formula: C25H28Zr+2 MolecularWeight: 419.71382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=[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

CCCC(=[C-]/C=C/C1=CC=CC=C1)C[CH2-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+4]

InChI

InChI=1S/C15H18.2C5H5.Zr/c1-3-9-14(4-2)12-8-13-15-10-6-5-7-11-15;2*1-2-4-5-3-1;/h5-8,10-11,13H,2-4,9H2,1H3;2*1-5H;/q-2;;;+4/b13-8+;;;