butane; cyclopenta-1,3-diene; zirconium(3+)

Systemtic Name: butane; cyclopenta-1,3-diene; zirconium(3+) Openeye Name: butane; cyclopenta-1,3-diene; zirconium(3+) CAS Name: butane; cyclopenta-1,3-diene; zirconium(3+) IUPAC Name: butane; cyclopenta-1,3-diene; zirconium(3+) Traditional Name: butane; cyclopenta-1,3-diene; zirconium(3+) Formula: C14H19Zr MolecularWeight: 278.52466

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+3]

Isomeric SMILES

CCC[CH2-].C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+3]

InChI

InChI=1S/2C5H5.C4H9.Zr/c2*1-2-4-5-3-1;1-3-4-2;/h2*1-3H,4H2;1,3-4H2,2H3;/q3*-1;+3