benzene; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(4+)

Systemtic Name: benzene; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(4+) Openeye Name: benzene; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(4+) CAS Name: benzene; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(4+) IUPAC Name: benzene; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(4+) Traditional Name: benzene; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene; zirconium(4+) Formula: C28H30Zr MolecularWeight: 457.7618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]C(C(=C1C)C)(C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Zr+4]

Isomeric SMILES

CC1=[C-]C(C(=C1C)C)(C)C.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Zr+4]

InChI

InChI=1S/C10H15.3C6H5.Zr/c1-7-6-10(4,5)9(3)8(7)2;3*1-2-4-6-5-3-1;/h1-5H3;3*1-5H;/q4*-1;+4