2-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); dichloride CAS Name: 2-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-butylcyclopenta-1,3-diene; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); dichloride Formula: C42H64Cl2Zr2-2 MolecularWeight: 822.31156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C9H13.2C3H6.2ClH.2Zr/c4*1-2-3-6-9-7-4-5-8-9;2*1-3-2;;;;/h4*4,7H,2-3,5-6H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2