cyclopentane; 3-ethylhex-3-ene; methanol; zirconium(3+)

Systemtic Name: cyclopentane; 3-ethylhex-3-ene; methanol; zirconium(3+) Openeye Name: cyclopentane; 3-ethylhex-3-ene; methanol; zirconium(3+) CAS Name: cyclopentane; 3-ethyl-3-hexene; methanol; zirconium(3+) IUPAC Name: cyclopentane; 3-ethylhex-3-ene; methanol; zirconium(3+) Traditional Name: cyclopentane; 3-ethylhex-3-ene; methanol; zirconium(3+) Formula: C19H29OZr+2 MolecularWeight: 364.65696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15.2C5H5.CH4O.Zr/c1-4-7-8(5-2)6-3;2*1-2-4-5-3-1;1-2;/h4-6H2,1-3H3;2*1-5H;2H,1H3;/q-1;;;;+3