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

Systemtic Name: butane; 2-butylcyclopenta-1,3-diene; zirconium(4+) Openeye Name: butane; 2-butylcyclopenta-1,3-diene; zirconium(4+) CAS Name: butane; 2-butylcyclopenta-1,3-diene; zirconium(4+) IUPAC Name: butane; 2-butylcyclopenta-1,3-diene; zirconium(4+) Traditional Name: butane; 2-butylcyclopenta-1,3-diene; zirconium(4+) Formula: C26H44Zr MolecularWeight: 447.85156

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[Zr+4]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.[Zr+4]

InChI

InChI=1S/2C9H13.2C4H9.Zr/c2*1-2-3-6-9-7-4-5-8-9;2*1-3-4-2;/h2*4,7H,2-3,5-6H2,1H3;2*1,3-4H2,2H3;/q4*-1;+4