cyclopentane; (3E)-4,5-diethylocta-3,5-diene; 2-methylpropan-2-ol; zirconium(3+)

Systemtic Name: cyclopentane; (3E)-4,5-diethylocta-3,5-diene; 2-methylpropan-2-ol; zirconium(3+) Openeye Name: cyclopentane; (3E)-4,5-diethylocta-3,5-diene; 2-methylpropan-2-ol; zirconium(3+) CAS Name: cyclopentane; (3E)-4,5-diethylocta-3,5-diene; 2-methyl-2-propanol; zirconium(3+) IUPAC Name: cyclopentane; (3E)-4,5-diethylocta-3,5-diene; 2-methylpropan-2-ol; zirconium(3+) Traditional Name: cyclopentane; (3E)-4,5-diethylocta-3,5-diene; 2-methylpropan-2-ol; zirconium(3+) Formula: C26H41OZr+2 MolecularWeight: 460.82714

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(CC)C(=[C-]CC)CC.CC(C)(C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

Isomeric SMILES

CC/C=C(\CC)/C(=[C-]CC)CC.CC(C)(C)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

InChI

InChI=1S/C12H21.2C5H5.C4H10O.Zr/c1-5-9-11(7-3)12(8-4)10-6-2;2*1-2-4-5-3-1;1-4(2,3)5;/h9H,5-8H2,1-4H3;2*1-5H;5H,1-3H3;/q-1;;;;+3/b11-9+;;;;