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

Systemtic Name: cyclopentane; [(1E)-3-ethylnona-1,3-dienyl]benzene; zirconium(4+) Openeye Name: cyclopentane; [(1E)-3-ethylnona-1,3-dienyl]benzene; zirconium(4+) CAS Name: cyclopentane; [(1E)-3-ethylnona-1,3-dienyl]benzene; zirconium(4+) IUPAC Name: cyclopentane; [(1E)-3-ethylnona-1,3-dienyl]benzene; zirconium(4+) Traditional Name: cyclopentane; [(1E)-3-ethylnona-1,3-dienyl]benzene; zirconium(4+) Formula: C27H32Zr+2 MolecularWeight: 447.76698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22.2C5H5.Zr/c1-3-5-6-8-11-16(4-2)14-15-17-12-9-7-10-13-17;2*1-2-4-5-3-1;/h7,9-10,12-15H,2-6,8H2,1H3;2*1-5H;/q-2;;;+4/b15-14+;;;