benzene; 2-butylcyclopenta-1,3-diene; zirconium(3+); chloride

Systemtic Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(3+); chloride Openeye Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(3+); chloride CAS Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(3+); chloride IUPAC Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(3+); chloride Traditional Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(3+); chloride Formula: C24H31ClZr- MolecularWeight: 446.17994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC=[C-]C=C1.[Cl-].[Zr+3]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.C1=CC=[C-]C=C1.[Cl-].[Zr+3]

InChI

InChI=1S/2C9H13.C6H5.ClH.Zr/c2*1-2-3-6-9-7-4-5-8-9;1-2-4-6-5-3-1;;/h2*4,7H,2-3,5-6H2,1H3;1-5H;1H;/q3*-1;;+3/p-1