cyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); chloride

Systemtic Name: cyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); chloride Openeye Name: cyclopenta-1,3-diene; isopropylidenezirconium(2+); chloride CAS Name: cyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); chloride IUPAC Name: cyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); chloride Traditional Name: cyclopenta-1,3-diene; isopropylidenezirconium(2+); chloride Formula: C13H16ClZr- MolecularWeight: 298.94314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-]

InChI

InChI=1S/2C5H5.C3H6.ClH.Zr/c2*1-2-4-5-3-1;1-3-2;;/h2*1-3H,4H2;1-2H3;1H;/q2*-1;;;+2/p-1