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

Systemtic Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); trichloride Openeye Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); trichloride CAS Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); trichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); trichloride Traditional Name: 2-butylcyclopenta-1,3-diene; zirconium(2+); trichloride Formula: C27H39Cl3Zr3 MolecularWeight: 743.62956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C9H13.3ClH.3Zr/c3*1-2-3-6-9-7-4-5-8-9;;;;;;/h3*4,7H,2-3,5-6H2,1H3;3*1H;;;/q3*-1;;;;3*+2/p-3