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

Systemtic Name: 2-butylcyclopenta-1,3-diene; zirconium(4+); dibenzoate Openeye Name: 2-butylcyclopenta-1,3-diene; zirconium(4+); dibenzoate CAS Name: 2-butylcyclopenta-1,3-diene; zirconium(4+); dibenzoate IUPAC Name: 2-butylcyclopenta-1,3-diene; zirconium(4+); dibenzoate Traditional Name: 2-butylcyclopenta-1,3-diene; zirconium(4+); dibenzoate Formula: C32H36O4Zr MolecularWeight: 575.84984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H13.2C7H6O2.Zr/c2*1-2-3-6-9-7-4-5-8-9;2*8-7(9)6-4-2-1-3-5-6;/h2*4,7H,2-3,5-6H2,1H3;2*1-5H,(H,8,9);/q2*-1;;;+4/p-2