cyclopenta-1,3-diene; ethane; ethanolate; zirconium(4+)

Systemtic Name: cyclopenta-1,3-diene; ethane; ethanolate; zirconium(4+) Openeye Name: cyclopenta-1,3-diene; ethane; ethanolate; zirconium(4+) CAS Name: cyclopenta-1,3-diene; ethane; ethanolate; zirconium(4+) IUPAC Name: cyclopenta-1,3-diene; ethane; ethanolate; zirconium(4+) Traditional Name: cyclopenta-1,3-diene; ethane; ethanolate; zirconium(4+) Formula: C14H20OZr MolecularWeight: 295.532

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].CC[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+4]

Isomeric SMILES

C[CH2-].CC[O-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+4]

InChI

InChI=1S/2C5H5.C2H5O.C2H5.Zr/c2*1-2-4-5-3-1;1-2-3;1-2;/h2*1-3H,4H2;2H2,1H3;1H2,2H3;/q4*-1;+4