cyclopentane; 3,3-diethoxyprop-1-yne; tris(fluoranyl)methanesulfonate; zirconium(4+)

Systemtic Name: cyclopentane; 3,3-diethoxyprop-1-yne; tris(fluoranyl)methanesulfonate; zirconium(4+) Openeye Name: cyclopentane; 3,3-diethoxyprop-1-yne; trifluoromethanesulfonate; zirconium(4+) CAS Name: cyclopentane; 3,3-diethoxy-1-propyne; trifluoromethanesulfonate; zirconium(4+) IUPAC Name: cyclopentane; 3,3-diethoxyprop-1-yne; trifluoromethanesulfonate; zirconium(4+) Traditional Name: cyclopentane; 3,3-diethoxyprop-1-yne; zirconium(4+); triflate Formula: C18H21F3O5SZr+2 MolecularWeight: 497.64055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C#[C-])OCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C(F)(F)(F)S(=O)(=O)[O-].[Zr+4]

Isomeric SMILES

CCOC(C#[C-])OCC.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C(F)(F)(F)S(=O)(=O)[O-].[Zr+4]

InChI

InChI=1S/C7H11O2.2C5H5.CHF3O3S.Zr/c1-4-7(8-5-2)9-6-3;2*1-2-4-5-3-1;2-1(3,4)8(5,6)7;/h7H,5-6H2,2-3H3;2*1-5H;(H,5,6,7);/q-1;;;;+4/p-1