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

Systemtic Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(4+) Openeye Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(4+) CAS Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(4+) IUPAC Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(4+) Traditional Name: benzene; 2-butylcyclopenta-1,3-diene; zirconium(4+) Formula: C30H36Zr MolecularWeight: 487.83084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H13.2C6H5.Zr/c2*1-2-3-6-9-7-4-5-8-9;2*1-2-4-6-5-3-1;/h2*4,7H,2-3,5-6H2,1H3;2*1-5H;/q4*-1;+4