2-butylcyclopenta-1,3-diene; cyclopenta-1,3-diene; zirconium(4+); dichloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; cyclopenta-1,3-diene; zirconium(4+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; cyclopenta-1,3-diene; zirconium(4+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; cyclopenta-1,3-diene; zirconium(4+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; cyclopenta-1,3-diene; zirconium(4+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; cyclopenta-1,3-diene; zirconium(4+); dichloride Formula: C14H18Cl2Zr MolecularWeight: 348.42272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=[C-]CC=C1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C9H13.C5H5.2ClH.Zr/c1-2-3-6-9-7-4-5-8-9;1-2-4-5-3-1;;;/h4,7H,2-3,5-6H2,1H3;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2