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

Systemtic Name: 2-octadecylcyclopenta-1,3-diene; zirconium(4+); dichloride Openeye Name: 2-octadecylcyclopenta-1,3-diene; zirconium(4+); dichloride CAS Name: 2-octadecylcyclopenta-1,3-diene; zirconium(4+); dichloride IUPAC Name: 2-octadecylcyclopenta-1,3-diene; zirconium(4+); dichloride Traditional Name: 2-stearylcyclopenta-1,3-diene; zirconium(4+); dichloride Formula: C46H82Cl2Zr MolecularWeight: 797.27328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC[C-]=C1.CCCCCCCCCCCCCCCCCCC1=CC[C-]=C1.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC[C-]=C1.CCCCCCCCCCCCCCCCCCC1=CC[C-]=C1.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C23H41.2ClH.Zr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-23;;;/h2*21-22H,2-18,20H2,1H3;2*1H;/q2*-1;;;+4/p-2