2-butylcyclopenta-1,3-diene; molecular hydrogen; zirconium(4+); chloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; molecular hydrogen; zirconium(4+); chloride Openeye Name: 2-butylcyclopenta-1,3-diene; molecular hydrogen; zirconium(4+); chloride CAS Name: 2-butylcyclopenta-1,3-diene; molecular hydrogen; zirconium(4+); chloride IUPAC Name: 2-butylcyclopenta-1,3-diene; molecular hydrogen; zirconium(4+); chloride Traditional Name: 2-butylcyclopenta-1,3-diene; molecular hydrogen; zirconium(4+); chloride Formula: C36H54ClZr- MolecularWeight: 613.49096

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Descriptors Computed from Structure

Canonical SMILES:

[HH].CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[Cl-].[Zr+4]

Isomeric SMILES

[HH].CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[Cl-].[Zr+4]

InChI

InChI=1S/4C9H13.ClH.Zr.H2/c4*1-2-3-6-9-7-4-5-8-9;;;/h4*4,7H,2-3,5-6H2,1H3;1H;;1H/q4*-1;;+4;/p-1